SCHEMBL452716

SCHEMBL452716

C=C(C)C(=O)OC.C=C(CC)C(=O)OCC[N+](C)(CC)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.36
TSHR P16473 3/20 0.36
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.30
LMNA P02545 1/20 0.30
APEX1 P27695 1/20 0.30
PGR P06401 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
HTR1A P08908 1/20 0.30
CHRNB2 P17787 1/20 0.30
TBXA2R P21731 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 1/20 0.30
CHRNA10 Q9GZZ6 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3092716 0.92 ALDH1A1 (0.46) ALDH1A1THRBTSHRCHRM5CHRM1
SCHEMBL6010463 0.90 CHRM1 (0.35) THRBTSHRCHRM5CHRM1CHRM3
SCHEMBL3447567 0.85 THRB (0.49) ALDH1A1THRBTSHRCHRM5CHRM1
SCHEMBL2988331 0.79 TSHR (0.57) ALDH1A1THRBTSHRCHRM5CHRM1
SCHEMBL565698 0.78 ALDH1A1 (0.43) ALDH1A1TSHR
Hydrochloric Acid SCHEMBL3662056 0.77 CHRM5 (0.44) ALDH1A1THRBTSHRCHRM5CHRM1
SCHEMBL1972308 0.75 ALDH1A1 (0.50) ALDH1A1THRBTSHRCHRM5CHRM1
SCHEMBL10425309 0.74 ALDH1A1 (0.68) ALDH1A1THRBTSHR
Hydrochloric Acid SCHEMBL252608 0.73 CHRM5 (0.57) ALDH1A1THRBTSHRCHRM5CHRM1
SCHEMBL1931957 0.73 TSHR (0.70) ALDH1A1THRBTSHRAPEX1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 171 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3409140-B1 METHOD FOR SHAPING HAIR USING NON-SILICONE POLYMERS OREAL (FR) 2021-03-24 EP claimed
US-10813429-B2 Hair shaping process using fatty substances, non-silicone polymers or surfactants L'OREAL (FR) 2020-10-27 US claimed
US-20170099925-A1 HAIR SHAPING PROCESS USING FATTY SUBSTANCES, NON-SILICONE POLYMERS OR SURFACTANTS L'OREAL (FR) 2017-04-13 US claimed
US-20150128983-A1 HAIR SHAPING PROCESS USING FATTY SUBSTANCES, NON-SILICONE POLYMERS OR SURFACTANTS L'OREAL (FR) 2015-05-14 US claimed
EP-0897298-B1 COSMETIC AEROSOL FIXATIVE COMPOSITION PROVIDING SHINE, AND METHODS OREAL (FR) 2003-03-26 EP claimed
US-11654093-B2 Monophasic appearance cosmetic hair composition comprising a particular nonionic surfactant L'OREAL (FR) 2023-05-23 US disclosed
US-20230109240-A1 COMPOSITIONS AND METHODS FOR STYLING HAIR L'OREAL (FR) 2023-04-06 US disclosed
US-20230056796-A1 COMPOSITION COMPRISING A CATIONIC CELLULOSE-BASED POLYMER, A SULFONIC ANIONIC POLYMER AND A FIXING POLYMER L'OREAL (FR) 2023-02-23 US disclosed
US-20230031235-A1 PROCESS FOR THE COSMETIC TREATMENT OF KERATIN FIBRES USING A RARE-EARTH METAL AND A PARTICULAR POLYMER L'OREAL (FR) 2023-02-02 US disclosed
WO-2023275282-A1 COMPOSITION OF SINGLE-PHASE APPEARANCE COMPRISING A NONIONIC SURFACTANT AND AN AMPHOTERIC SURFACTANT L'OREAL (FR) 2023-01-05 WO disclosed
WO-2023275286-A1 COMPOSITION IN EMULSION FORM COMPRISING A PARTICULAR NONIONIC SURFACTANT L'OREAL (FR) 2023-01-05 WO disclosed
WO-2023275283-A1 COMPOSITION OF SINGLE-PHASE APPEARANCE COMPRISING AN ANIONIC SURFACTANT AND AN AMPHOTERIC SURFACTANT L'OREAL (FR) 2023-01-05 WO disclosed
US-20020054862-A1 Washing composition comprising particles of aluminium oxide, at least one conditioning agent and at least one detergent surfactant L'OREAL (FR) 2002-05-09 US disclosed
US-20020046431-A1 Composition for the oxidation dyeing of keratinous fibers comprising at least one oxidation dye and at least one cationic amphiphilic polymer, and dyeing methods LAURENT FLORENCE (FR) 2002-04-25 US disclosed
US-20020020029-A1 Composition for the oxidation dyeing of keratinous fibers comprising at least one 1-(4-aminophenyl)pyrrolidine oxidation dye and at least one enzymatic oxidizing system, and dyeing methods L'OREAL S.A. (FR) 2002-02-21 US disclosed
US-20020010970-A1 Compositions for oxidation dyeing keratin fibers comprising at least one fatty alcohol having more than twenty carbon atoms and at least one oxyalkylenated nonionic surfactant with an HLB greater than 5 COTTARD FRANCOIS (FR) 2002-01-31 US disclosed
US-20010032368-A1 Dye compositions comprising at least one nonionic compound and uses thereof L'OREAL S.A. (FR) 2001-10-25 US disclosed
US-20010023515-A1 Compositions for oxidation dyeing keratin fibers comprising at least one oxidation dye, at least one thickening polymer comprising at least one fatty chain, and at least one fatty alcohol comprising more than twenty carbon atoms and uses thereof L'OREAL S.A. (FR) 2001-09-27 US disclosed
US-20010023514-A1 Compositions for oxidation dyeing keratin fibers comprising at least one thickening polymer comprising at least one fatty chain and at least one fatty alcohol chosen from monoglycerolated fatty alcohols and polyglycerolated fatty alcohols L'OREAL S.A. (FR) 2001-09-27 US disclosed
EP-1106167-A2 Dye compositions for keratin fibers comprising a nonionic compound L'OREAL (FR) 2001-06-13 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020054862-A1 Washing composition comprising particles of aluminium oxide, at least one conditioning agent and at least one detergent surfactant SGMS2, SGMS1, PHOSPHO1 ALDH1A1 4228/4885THRB 4644/4885TSHR 3830/4885
US-20010023515-A1 Compositions for oxidation dyeing keratin fibers comprising at least one oxidation dye, at least one thickening polymer comprising at least one fatty chain, and at least one fatty alcohol comprising more than twenty carbon atoms and uses thereof KRT18, ADH1A, FASN ALDH1A1 43/4885THRB 3160/4885TSHR 4299/4885
US-20020010970-A1 Compositions for oxidation dyeing keratin fibers comprising at least one fatty alcohol having more than twenty carbon atoms and at least one oxyalkylenated nonionic surfactant with an HLB greater than 5 KRT18, ADH5, PLIN5 ALDH1A1 222/4885THRB 1197/4885TSHR 4021/4885
US-20020020029-A1 Composition for the oxidation dyeing of keratinous fibers comprising at least one 1-(4-aminophenyl)pyrrolidine oxidation dye and at least one enzymatic oxidizing system, and dyeing methods ALDH7A1, KRT18, PPOX ALDH1A1 43/4885THRB 4081/4885TSHR 4804/4885
US-10813429-B2 Hair shaping process using fatty substances, non-silicone polymers or surfactants KRT18, CUTA, SHH ALDH1A1 3798/4885THRB 2714/4885TSHR 3812/4885
US-20010032368-A1 Dye compositions comprising at least one nonionic compound and uses thereof KRT18, AKR1B10, NDUFA10 ALDH1A1 444/4885THRB 2907/4885TSHR 3484/4885
US-20170099925-A1 HAIR SHAPING PROCESS USING FATTY SUBSTANCES, NON-SILICONE POLYMERS OR SURFACTANTS KRT18, CUTA, SHH ALDH1A1 3798/4885THRB 2714/4885TSHR 3812/4885
US-20150128983-A1 HAIR SHAPING PROCESS USING FATTY SUBSTANCES, NON-SILICONE POLYMERS OR SURFACTANTS KRT18, CUTA, SHH ALDH1A1 3798/4885THRB 2714/4885TSHR 3812/4885
US-20230056796-A1 COMPOSITION COMPRISING A CATIONIC CELLULOSE-BASED POLYMER, A SULFONIC ANIONIC POLYMER AND A FIXING POLYMER KRT18, PRKDC, SUCLG1 ALDH1A1 4663/4885THRB 4079/4885TSHR 3796/4885
US-20230109240-A1 COMPOSITIONS AND METHODS FOR STYLING HAIR DPM1, PIK3C3, NACA ALDH1A1 4322/4885THRB 4063/4885TSHR 4003/4885
US-20010023514-A1 Compositions for oxidation dyeing keratin fibers comprising at least one thickening polymer comprising at least one fatty chain and at least one fatty alcohol chosen from monoglycerolated fatty alcohols and polyglycerolated fatty alcohols KRT18, FASN, ADH1A ALDH1A1 170/4885THRB 2961/4885TSHR 4409/4885
US-11654093-B2 Monophasic appearance cosmetic hair composition comprising a particular nonionic surfactant KRT18, POLR1C, PRKDC ALDH1A1 2336/4885THRB 4133/4885TSHR 3332/4885
US-20020046431-A1 Composition for the oxidation dyeing of keratinous fibers comprising at least one oxidation dye and at least one cationic amphiphilic polymer, and dyeing methods KRT18, ACAD10, OAT ALDH1A1 115/4885THRB 2928/4885TSHR 4319/4885
US-20230031235-A1 PROCESS FOR THE COSMETIC TREATMENT OF KERATIN FIBRES USING A RARE-EARTH METAL AND A PARTICULAR POLYMER KRT18, KIF5B, DSG1 ALDH1A1 3098/4885THRB 4220/4885TSHR 3328/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.