SCHEMBL426582

SCHEMBL426582

CC(=O)c1c(O)ccc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 5/20 0.54
THRB P10828 1/20 0.54
NCEH1 Q6PIU2 1/20 0.53
PTPN22 Q9Y2R2 1/20 0.52
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPT P10636 1/20 0.50
HSD17B10 Q99714 2/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
LDHA P00338 1/20 0.48
ERN1 O75460 1/20 0.48
POLB P06746 1/20 0.48
CA9 Q16790 1/20 0.47
USP2 O75604 1/20 0.47
PAK1 Q13153 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL30714893 1.00 ABCG2 (0.54) ABCG2THRBNCEH1PTPN22ALDH1A1
SCHEMBL975681 0.84 NCEH1 (0.53) NCEH1ALDH1A1HPGDKDM4EMAPT
SCHEMBL4139654 0.83 ABCG2 (0.57) ABCG2PTPN22ALDH1A1HPGDKDM4E
SCHEMBL4268 0.82 ALDH1A1 (0.61) ABCG2THRBPTPN22ALDH1A1HPGD
SCHEMBL29593799 0.82 ALDH1A1 (0.61) ABCG2THRBPTPN22ALDH1A1HPGD
SCHEMBL16784688 0.82 PTPN22 (0.54) ABCG2PTPN22ALDH1A1HPGDKDM4E
SCHEMBL29376732 0.82 ALDH1A1 (0.61) ABCG2THRBPTPN22ALDH1A1HPGD
SCHEMBL2907054 0.80 ABCG2 (0.51) ABCG2PTPN22ALDH1A1HPGDKDM4E
SCHEMBL23079082 0.80 ABCG2 (0.54) ABCG2PTPN22ALDH1A1HPGDKDM4E
Water SCHEMBL8971546 0.80 ALDH1A1 (0.59) ABCG2THRBPTPN22ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2353656-B1 Functional fragrance precursor COLGATE PALMOLIVE CO (US) 2016-06-01 EP claimed
EP-2353652-B1 Functional fragrance precursor COLGATE PALMOLIVE CO (US) 2015-07-08 EP claimed
EP-2353654-B1 Functional fragrance precursor COLGATE PALMOLIVE CO (US) 2015-06-17 EP claimed
US-8906843-B2 Functional fragrance precursor COLGATE-PALMOLIVE COMPANY (US) 2014-12-09 US claimed
US-8901068-B2 Functional fragrance precursor COLGATE-PALMOLIVE COMPANY (US) 2014-12-02 US claimed
US-8895495-B2 Functional fragrance precursor COLGATE-PALMOLIVE COMPANY (US) 2014-11-25 US claimed
US-8895496-B2 Functional fragrance precursor COLGATE-PALMOLIVE COMPANY (US) 2014-11-25 US claimed
EP-1567122-B1 FUNCTIONAL FRAGRANCE PRECURSOR COLGATE PALMOLIVE CO (US) 2014-09-17 EP claimed
US-20140065081-A1 FUNCTIONAL FRAGRANCE PRECURSOR COLGATE-PALMOLIVE COMPANY (US) 2014-03-06 US claimed
US-20140056825-A1 FUNCTIONAL FRAGRANCE PRECURSOR COLGATE-PALMOLIVE COMPANY (US) 2014-02-27 US claimed
EP-1143924-B2 EXOTHERMIC EFFERVESCENT COMPOSITION FOR IMPROVED FRAGRANCE DISPERSION PHYZZ INC (US) 2008-11-26 EP claimed
US-20080254130-A1 Skin Antiaging & Brightening via Multi-function Treatment of Enzyme Dysfunction BIODERM RESEARCH (US) 2008-10-16 US claimed
WO-2007134666-A1 FRAGRANCE PRECURSOR KAO CORPORATION S.A. (ES) 2007-11-29 WO claimed
EP-1857436-A1 Fragrance precursor KAO CORPORATION, S.A. (ES) 2007-11-21 EP claimed
US-20060074108-A1 Matrix metalloprotease (MMP) inhibitors and their application in cosmetic and pharmaceutical composition BIODERM RESEARCH (US) 2006-04-06 US claimed
EP-1143924-B1 EXOTHERMIC EFFERVESCENT COMPOSITION FOR IMPROVED FRAGRANCE DISPERSION PHYZZ INC (US) 2005-10-26 EP claimed
EP-1567122-A2 FUNCTIONAL FRAGRANCE PRECURSOR Colgate-Palmolive Company (US) 2005-08-31 EP claimed
EP-1363678-B1 COMPOSITION FOR AROMA DELIVERY WITH IMPROVED STABILITY AND REDUCED FOAMING PROCTER & GAMBLE (US) 2005-05-18 EP claimed
WO-2004047788-A2 FUNCTIONAL FRAGRANCE PRECURSOR COLGATE-PALMOLIVE COMPANY (US) 2004-06-10 WO claimed
US-20040102357-A1 For sustained release; fabric softeners, hair conditioners, skin conditioners COLGATE-PALMOLIVE COMPANY 2004-05-27 US claimed

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

For each of this compound's patents that has machine-readable text (3 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-20040102357-A1 For sustained release; fabric softeners, hair conditioners, skin conditioners CUTA, APEH, SUCLG1 ABCG2 1165/4885THRB 2984/4885NCEH1 244/4885
US-20080254130-A1 Skin Antiaging & Brightening via Multi-function Treatment of Enzyme Dysfunction PSMB1, PLOD3, CUTA ABCG2 4406/4885THRB 3874/4885NCEH1 1564/4885
US-20140056825-A1 FUNCTIONAL FRAGRANCE PRECURSOR C1R, CUTA, GFER ABCG2 1200/4885THRB 2906/4885NCEH1 712/4885

“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.