SCHEMBL2936995

SCHEMBL2936995

Cc1ccc(C)c(-c2c(N)cccc2O)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.50
ATM Q13315 1/20 0.50
TSHR P16473 3/20 0.44
CYP3A4 P08684 2/20 0.44
PIK3CA P42336 1/20 0.44
ALOX15 P16050 1/20 0.43
CD44 P16070 1/20 0.40
ELANE P08246 1/20 0.39
CTSG P08311 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CASP1 P29466 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
CSNK2A3 Q8NEV1 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
PABPC1 P11940 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL2936870 0.85 TRPA1 (0.50) TRPA1ATMTSHRCYP3A4PIK3CA
SCHEMBL2938830 0.83 TRPA1 (0.45) TRPA1ATMTSHRCYP3A4PIK3CA
SCHEMBL7073573 0.82 ELANE (0.49) TRPA1ATMTSHRCYP3A4PIK3CA
SCHEMBL2940282 0.81 TRPA1 (0.52) TRPA1ATMTSHRCYP3A4PIK3CA
SCHEMBL2938543 0.80 ALOX15 (0.57) TRPA1TSHRCYP3A4PIK3CAALOX15
SCHEMBL2939962 0.80 ALOX15 (0.57) TRPA1TSHRCYP3A4PIK3CAALOX15
SCHEMBL2939822 0.78 ALDH1A1 (0.45) TRPA1ATMTSHRCYP3A4PIK3CA
SCHEMBL2937049 0.76 MCL1 (0.41) TRPA1ATMTSHRCYP3A4ALOX15
SCHEMBL2934543 0.74 ALOX15 (0.46) TRPA1ATMTSHRCYP3A4ALOX15
SCHEMBL2938735 0.74 ALOX15 (0.46) TRPA1TSHRCYP3A4ALOX15ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7033401-B2 3-Aminophenol derivatives substituted in the 2-position, and dyes containing these compounds WELLA AG (DE) 2006-04-25 US claimed
US-20040147515-A1 3-Aminophenol derivatives substituted in the 2-position, and dyes containing these compounds WELLA AKTIENGESELLSCHAFT (DE) 2004-07-29 US claimed
EP-1494995-B1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS PROCTER & GAMBLE (US) 2010-09-22 EP disclosed
US-7033401-B2 3-Aminophenol derivatives substituted in the 2-position, and dyes containing these compounds WELLA AG (DE) 2006-04-25 US disclosed
US-20040147515-A1 3-Aminophenol derivatives substituted in the 2-position, and dyes containing these compounds WELLA AKTIENGESELLSCHAFT (DE) 2004-07-29 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 (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-20040147515-A1 3-Aminophenol derivatives substituted in the 2-position, and dyes containing these compounds ALPP, TYR, RB1 TRPA1 303/4885ATM 1270/4885TSHR 1081/4885

“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.