SCHEMBL4096843

SCHEMBL4096843

C=C(CN)C(=O)OCCC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.44
THRB P10828 1/20 0.41
HCAR2 Q8TDS4 1/20 0.38
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 2/20 0.35
HTR2C P28335 1/20 0.35
ESR1 P03372 1/20 0.34
CHRM1 P11229 1/20 0.34
SLC6A2 P23975 1/20 0.34
KDR P35968 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
ALOX15 P16050 1/20 0.32
STS P08842 1/20 0.32
ATM Q13315 1/20 0.31

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
SCHEMBL28347637 0.87 TSHR (0.55) TSHRTHRBHCAR2ALDH1A1SMN1; SMN2
SCHEMBL2951935 0.85 TSHR (0.40) TSHRTHRBHCAR2ALDH1A1SMN1; SMN2
SCHEMBL3478021 0.84 TSHR (0.45) TSHRTHRBHCAR2ALDH1A1SMN1; SMN2
SCHEMBL2048244 0.82 CYP1A2 (0.46) TSHRTHRBHCAR2ALDH1A1SMN1; SMN2
SCHEMBL3476011 0.82 TSHR (0.44) TSHRTHRBHCAR2ALDH1A1SMN1; SMN2
SCHEMBL26129017 0.82 TSHR (0.44) TSHRTHRBHCAR2ALDH1A1SMN1; SMN2
SCHEMBL52703 0.82 TSHR (0.44) TSHRTHRBHCAR2ALDH1A1SMN1; SMN2
SCHEMBL323091 0.81
SCHEMBL27542979 0.81 TSHR (0.40) TSHRTHRBHCAR2ALDH1A1SMN1; SMN2
SCHEMBL6274724 0.81 TSHR (0.40) TSHRTHRBHCAR2ALDH1A1SMN1; SMN2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090098079-A1 PRODUCT RELEASE SYSTEM FOR ATOMIZING COSMETIC HAIR COMPOSITIONS CONTAINING CATIONIC POLYMERS THE PROCTER & GAMBLE COMPANY (US) 2009-04-16 US claimed
US-20080112898-A1 Product release system to atomize polymer-containing cosmetic hair compositions PROCTER & GAMBLE COMPANY, THE 2008-05-15 US claimed
US-20080089855-A1 Non-fluid hair treatment product comprising hair fixative absorbed on waxy carrier THE PROCTER & GAMBLE COMPANY 2008-04-17 US claimed
WO-2008041202-A1 NON-FLUID HAIR TREATMENT PRODUCT COMPRISING HAIR FIXATIVE ABSORBED ON WAXY CARRIER THE PROCTER & GAMBLE COMPANY (US) 2008-04-10 WO claimed
EP-1908456-A1 Non-fluid hair treatment product comprising hair fixative absorbed on waxy carrier Wella Aktiengesellschaft (DE) 2008-04-09 EP claimed
EP-1899013-A1 A PRODUCT RELEASE SYSTEM TO ATOMIZE NON-LIQUID OR HIGHLY VISCOUS COSMETIC COMPOSITIONS The Procter and Gamble Company (US) 2008-03-19 EP claimed
EP-1896137-A1 PRODUCT RELEASE SYSTEM TO ATOMIZE POLYMER-CONTAINING COSMETIC HAIR COMPOSITIONS Wella Aktiengesellschaft (DE) 2008-03-12 EP claimed
EP-1896140-A1 A PRODUCT RELEASE SYSTEM TO ATOMIZE COMPOSITIONS CONTAINING HAIR-CONDITIONING INGREDIENTS The Procter and Gamble Company (US) 2008-03-12 EP claimed
EP-1893295-A1 A PRODUCT RELEASE SYSTEM FOR ATOMIZING COSMETIC HAIR COMPOSITIONS CONTAINING CATIONIC POLYMERS Wella Aktiengesellschaft (DE) 2008-03-05 EP claimed
US-20070297992-A1 Product release system to atomize compositions containing hair-conditioning ingredients PROCTER & GAMBLE COMPANY, THE 2007-12-27 US claimed
US-20070292460-A1 Product release system to atomize non-liquid or highly viscous cosmetic compositions PROCTER & GAMBLE COMPANY, THE 2007-12-20 US claimed
WO-2007002045-A1 PRODUCT RELEASE SYSTEM TO ATOMIZE POLYMER-CONTAINING COSMETIC HAIR COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2007-01-04 WO claimed
WO-2007001843-A1 A PRODUCT RELEASE SYSTEM TO ATOMIZE COMPOSITIONS CONTAINING HAIR-CONDITIONING INGREDIENTS THE PROCTER & GAMBLE COMPANY (US) 2007-01-04 WO claimed
WO-2007001842-A1 A PRODUCT RELEASE SYSTEM TO ATOMIZE NON-LIQUID OR HIGHLY VISCOUS COSMETIC COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2007-01-04 WO claimed
WO-2007002048-A1 A PRODUCT RELEASE SYSTEM FOR ATOMIZING COSMETIC HAIR COMPOSITIONS CONTAINING CATIONIC POLYMERS THE PROCTER & GAMBLE COMPANY (US) 2007-01-04 WO claimed
US-20060013785-A1 Hairstyling gels with light protective action for skin and hair WELLA AG (DE) 2006-01-19 US claimed
CN-101738888-A Developer, developer storing body, developing device and image forming apparatus OKI DATA KK 2010-06-16 CN 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 (5 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-20090098079-A1 PRODUCT RELEASE SYSTEM FOR ATOMIZING COSMETIC HAIR COMPOSITIONS CONTAINING CATIONIC POLYMERS CUTA, POLR1C, MC1R TSHR 1687/4885THRB 3873/4885HCAR2 1958/4885
US-20070297992-A1 Product release system to atomize compositions containing hair-conditioning ingredients CRAT, SMS, SLC6A12 TSHR 2953/4885THRB 1790/4885HCAR2 1795/4885
US-20080112898-A1 Product release system to atomize polymer-containing cosmetic hair compositions CUTA, SUCLG1, POLR1C TSHR 2805/4885THRB 4528/4885HCAR2 1079/4885
US-20070292460-A1 Product release system to atomize non-liquid or highly viscous cosmetic compositions CUTA, CAPZA2, ENY2 TSHR 3231/4885THRB 4582/4885HCAR2 3367/4885
US-20060013785-A1 Hairstyling gels with light protective action for skin and hair SUCLG1, CUTA, MTCL3 TSHR 3150/4885THRB 4164/4885HCAR2 1405/4885

“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.