SCHEMBL2988331

SCHEMBL2988331

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
THRB P10828 1/20 0.42
POLB P06746 2/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ACHE P22303 4/20 0.39
HPGD P15428 1/20 0.37
RAD52 P43351 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CHRM5 P08912 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
ATM Q13315 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
PGR P06401 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33

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
SCHEMBL3447567 0.92 THRB (0.49) TSHRTHRBPOLBAPEX1HTT
SCHEMBL3092716 0.87 ALDH1A1 (0.46) TSHRTHRBPOLBAPEX1HTT
SCHEMBL1972023 0.85 TSHR (0.60) TSHRTHRBPOLBAPEX1HTT
Hydrochloric Acid SCHEMBL6114873 0.83 TSHR (0.66) TSHRTHRBPOLBAPEX1HTT
Hydrogen Sulfide SCHEMBL27984120 0.82 TSHR (0.81) TSHRTHRBPOLBAPEX1HTT
Acetic Acid SCHEMBL27968233 0.81 TSHR (0.78) TSHRTHRBPOLBAPEX1HTT
SCHEMBL19066401 0.80 TSHR (0.84) TSHRTHRBPOLBAPEX1HTT
SCHEMBL14893 0.80 TSHR (0.84) TSHRTHRBPOLBAPEX1HTT
SCHEMBL11583525 0.80 TSHR (0.84) TSHRTHRBPOLBAPEX1HTT
SCHEMBL452716 0.79 ALDH1A1 (0.41) TSHRTHRBAPEX1ALDH1A1CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11975093-B2 Composition comprising oil and polyion complex including cellulose-based cationic polymer with at least one fatty chain L'OREAL (FR) 2024-05-07 US disclosed
US-11819564-B2 Composition comprising polyion complex particle and oil L'OREAL (FR) 2023-11-21 US disclosed
WO-2021039936-A1 COMPOSITION COMPRISING POLYION COMPLEX AND TEXTURE AGENT L'OREAL (FR) 2021-03-04 WO disclosed
US-20200330363-A1 COMPOSITION COMPRISING OIL AND POLYION COMPLEX INCLUDING CELLULOSE-BASED CATIONIC POLYMER WITH AT LEAST ONE FATTY CHAIN L'OREAL (FR) 2020-10-22 US disclosed
US-20200163864-A1 COMBINATION OF POLYION COMPLEX PARTICLE AND NON-POLYMERIC ACID OR BASE HAVING TWO OR MORE DISSOCIATION CONSTANTS L'OREAL (FR) 2020-05-28 US disclosed
US-20200163866-A1 COMPOSITION COMPRISING POLYION COMPLEX PARTICLE AND OIL L'OREAL (FR) 2020-05-28 US disclosed
EP-2194957-B1 COMPOSITION COMPRISING AT LEAST ONE AMMONIUM SALT, AQUEOUS AMMONIA AND AT LEAST ONE AMINO ACID L'ORÉAL (FR) 2017-06-14 EP disclosed
WO-2013069165-A1 COSMETIC COMPOSITION FOR KERATIN FIBERS L'OREAL (FR) 2013-05-16 WO disclosed
US-7862803-B2 Oxidizing composition for treating keratin materials based on amphiphilic polymers of at least one ethylenically unsaturated monomer with a sulphonic group and comprising a hydrophobic portion L'OREAL (FR) 2011-01-04 US disclosed
US-7771491-B2 Oxidation dye composition for keratin fibers, comprising at least one oxidation dye, at least one associative polymer, at least one nonionic cellulose-based compound not comprising a C8-C30 fatty chain, and at least one cationic polymer with a charge density of greater than 1 meq/g and not comprising a C8-C30 fatty chain L'OREAL S.A. (FR) 2010-08-10 US disclosed
US-20040074015-A1 Oxidising composition for treating keratinous materials based on amphiphilic polymers of at least an ethylenically unsaturated monomer containing a sulfonic group and comprising a hydrophobic part L'OREAL (FR) 2004-04-22 US disclosed
US-20040049860-A1 Oxidation dyeing composition for keratinous fibres comprising glycerine and a polyol other than glycerine in a specific ratio L'OREAL (FR) 2004-03-18 US disclosed
US-20040049861-A1 Oxidation dyeing composition for keratinous fibres comprising an associative polymer and a pearling agent L'OREAL S.A. (FR) 2004-03-18 US disclosed
US-20040001796-A9 Cosmetic compositions containing a methacrylic acid copolymer, a dimethicone, a nacreous agent and a cationic polymer, and uses thereof L'OREAL S.A. (FR) 2004-01-01 US disclosed
US-20030152534-A1 Composition for dyeing keratin fibers comprising a particular aminosilicone L'OREAL S.A. (FR) 2003-08-14 US disclosed
US-20030140429-A1 Keratin fibre dyeing composition comprising a particular aminosilicone L'OREAL S.A. (FR) 2003-07-31 US disclosed
US-20030108503-A1 Cosmetic compositions containing a methacrylic acid copolymer, a silicone and a cationic polymer, and uses thereof L'OREAL S.A. (FR) 2003-06-12 US disclosed
US-20030103927-A1 Cosmetic compositions containing a methacrylic acid copolymer, a silicone and a cationic polymer, and uses thereof L'OREAL S.A. (FR) 2003-06-05 US disclosed
US-20030103926-A1 Cosmetic compositions containing a methacrylic acid copolymer, a dimethicone, a nacreous agent and a cationic polymer, and uses thereof MAUBRU MIREILLE (FR) 2003-06-05 US disclosed
US-20030103929-A1 Cosmetic compositions containing a methacrylic acid copolymer, a silicone and a cationic polymer, and uses thereof L'OREAL S.A. (FR) 2003-06-05 US 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 (15 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-20200330363-A1 COMPOSITION COMPRISING OIL AND POLYION COMPLEX INCLUDING CELLULOSE-BASED CATIONIC POLYMER WITH AT LEAST ONE FATTY CHAIN PRKCA, PRKCH, CUTA TSHR 4639/4885THRB 3971/4885POLB 799/4885
US-20030103927-A1 Cosmetic compositions containing a methacrylic acid copolymer, a silicone and a cationic polymer, and uses thereof KRT18, CUTA, MARK1 TSHR 3152/4885THRB 2828/4885POLB 2779/4885
US-20030103929-A1 Cosmetic compositions containing a methacrylic acid copolymer, a silicone and a cationic polymer, and uses thereof CUTA, KRT18, MUC1 TSHR 3507/4885THRB 3113/4885POLB 2215/4885
US-11975093-B2 Composition comprising oil and polyion complex including cellulose-based cationic polymer with at least one fatty chain PRKCA, PRKCH, CUTA TSHR 4639/4885THRB 3971/4885POLB 799/4885
US-20040001796-A9 Cosmetic compositions containing a methacrylic acid copolymer, a dimethicone, a nacreous agent and a cationic polymer, and uses thereof KRT18, CUTA, MUC1 TSHR 3212/4885THRB 3636/4885POLB 2289/4885
US-20030152534-A1 Composition for dyeing keratin fibers comprising a particular aminosilicone KRT18, TUBB8, TUBA8 TSHR 4575/4885THRB 3408/4885POLB 1700/4885
US-20030108503-A1 Cosmetic compositions containing a methacrylic acid copolymer, a silicone and a cationic polymer, and uses thereof KRT18, CUTA, ACR TSHR 3215/4885THRB 3104/4885POLB 3036/4885
US-20200163866-A1 COMPOSITION COMPRISING POLYION COMPLEX PARTICLE AND OIL PIK3CA, PTEN, PIK3CG TSHR 3897/4885THRB 3892/4885POLB 336/4885
US-20030140429-A1 Keratin fibre dyeing composition comprising a particular aminosilicone KRT18, TUBB3, TUBA3E TSHR 4749/4885THRB 4315/4885POLB 1933/4885
US-20030103926-A1 Cosmetic compositions containing a methacrylic acid copolymer, a dimethicone, a nacreous agent and a cationic polymer, and uses thereof KRT18, CUTA, MUC1 TSHR 3212/4885THRB 3636/4885POLB 2289/4885
US-20040049861-A1 Oxidation dyeing composition for keratinous fibres comprising an associative polymer and a pearling agent KRT18, COXFA4L2, TUBB4A TSHR 4095/4885THRB 2705/4885POLB 542/4885
US-20040049860-A1 Oxidation dyeing composition for keratinous fibres comprising glycerine and a polyol other than glycerine in a specific ratio KRT18, AKR1B10, ACAD10 TSHR 4538/4885THRB 2802/4885POLB 320/4885
US-11819564-B2 Composition comprising polyion complex particle and oil PIK3CA, PTEN, PIK3CG TSHR 3897/4885THRB 3892/4885POLB 336/4885
US-20200163864-A1 COMBINATION OF POLYION COMPLEX PARTICLE AND NON-POLYMERIC ACID OR BASE HAVING TWO OR MORE DISSOCIATION CONSTANTS PRKCA, PRKCI, PRKCG TSHR 2767/4885THRB 3412/4885POLB 424/4885
US-20040074015-A1 Oxidising composition for treating keratinous materials based on amphiphilic polymers of at least an ethylenically unsaturated monomer containing a sulfonic group and comprising a hydrophobic part KRT18, DSG1, CUTA TSHR 4775/4885THRB 4760/4885POLB 2096/4885

“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.