SCHEMBL453961

SCHEMBL453961

OCCNc1cccc(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.50
TAAR1 Q96RJ0 1/20 0.50
TSHR P16473 1/20 0.50
HTR7 P34969 2/20 0.49
KMT2A Q03164 3/20 0.46
CYP1A2 P05177 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
LMNA P02545 1/20 0.44
CA5A P35218 1/20 0.44
CA9 Q16790 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA14 Q9ULX7 1/20 0.44

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
SCHEMBL29602312 1.00 CYP3A4 (0.50) CYP3A4TAAR1TSHRHTR7KMT2A
Hydrochloric Acid SCHEMBL11216788 0.98 TAAR1 (0.52) CYP3A4TAAR1TSHRHTR7KMT2A
SCHEMBL11508113 0.89 CYP3A4 (0.56) CYP3A4TSHRHTR7KMT2ACYP1A2
SCHEMBL5159176 0.88 HTR7 (0.51) CYP3A4TAAR1TSHRHTR7KMT2A
SCHEMBL5158409 0.87 MAPT (0.52) CYP3A4KMT2ACYP1A2ALDH1A1CYP2D6
SCHEMBL4641232 0.85 ALDH1A1 (0.46) CYP3A4TAAR1TSHRHTR7KMT2A
SCHEMBL7723797 0.83 CYP3A4 (0.54) CYP3A4TSHRHTR7KMT2ACYP1A2
SCHEMBL4424661 0.82 ALDH1A1 (0.48) CYP3A4TSHRHTR7KMT2ACYP1A2
SCHEMBL6151959 0.82 KMT2A (0.48) CYP3A4TAAR1TSHRHTR7KMT2A
SCHEMBL11639159 0.80 CYP3A4 (0.52) CYP3A4TSHRHTR7KMT2ACYP1A2

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 1145 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4785024-B2 2011-10-05 JP claimed
EP-1494995-B1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS PROCTER & GAMBLE (US) 2010-09-22 EP claimed
US-RE41549-E1 Dyes for keratin fibers, the dyes containing n-benzyl-p-phenylenediamine derivatives and novel n-benzyl-p-phenylenediamine derivatives WELLA AG (DE) 2010-08-24 US claimed
US-7771734-B2 Process to color and permanently restructure hair WELLA AG (DE) 2010-08-10 US claimed
CN-100549003-C 3-aminophenol derivatives and keratin fibre colorants comprising these compounds P & G CLAIROL INC (US) 2009-10-14 CN claimed
EP-1670423-B1 DYE-CONTAINING PELLETS FOR DYEING KERATIN FIBRES WELLA AG (DE) 2008-10-08 EP claimed
EP-1655056-B1 Process to colour and permanently restructure hair WELLA AG (DE) 2008-07-02 EP claimed
EP-1601335-B1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES WELLA AG (DE) 2008-03-19 EP claimed
US-7326254-B2 Means and method for the simultaneous bleaching and dyeing of keratin fibres WELLA AG (DE) 2008-02-05 US claimed
EP-1351945-B1 NOVEL 1,4-DIAMINO-2-(THIAZOL-2-YL)BENZENE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AG (DE) 2008-01-23 EP claimed
US-20010054207-A1 p-aminophenol derivative compounds and dye compositions containing same WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2001-12-27 US claimed
EP-0943614-B1 Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives WELLA AG (DE) 2001-12-12 EP claimed
WO-2001085683-A2 PYRROLYL-, FURANYL- AND THIENYL-SUBSTITUTED P-AMINOPHENOLS AND COLORANTS CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2001-11-15 WO claimed
EP-1153917-A1 p-Aminophenol derivatives and colorants containing them Wella Aktiengesellschaft (DE) 2001-11-14 EP claimed
WO-2001072686-A1 P-DIAMINOBENZENE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2001-10-04 WO claimed
EP-1116711-A2 2-aminoalkyl-1,4-diaminobenzene derivatives and dye composition containing these compounds Wella Aktiengesellschaft (DE) 2001-07-18 EP claimed
US-6132475-A FOR OXIDATION DYEING OF KERATIN FIBERS; INCLUDES COUPLER AND DEVELOPER, IN WHICH THE DEVELOPER IS A SUBSTITUTED 2-(FURYL, THIENYL, PYRROLYL, OR SELENOPHENE) P-DIAMINOBENZENE DERIVATIVE OF GIVEN FORMULA; COLORFASTNESS, WASHFASTNESS WELLA AKTIENGESELLSCHAFT (DE) 2000-10-17 US claimed
US-6042620-A FOR DYEING KERATIN FIBERS SUCH AS HAIR WELLA AG (DE) 2000-03-28 US claimed
EP-0963982-A2 New diaminobenzene derivatives and these componends containing colouring agents Wella Aktiengesellschaft (DE) 1999-12-15 EP claimed
EP-0943614-A2 Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives Wella Aktiengesellschaft (DE) 1999-09-22 EP 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 (1 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-20010054207-A1 p-aminophenol derivative compounds and dye compositions containing same KRT18, AASDHPPT, S100P CYP3A4 295/4885TAAR1 1900/4885TSHR 4685/4885

“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.