SCHEMBL2938830

SCHEMBL2938830

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.45
ATM Q13315 1/20 0.45
ELANE P08246 1/20 0.42
CTSG P08311 1/20 0.42
TSHR P16473 4/20 0.40
CYP3A4 P08684 3/20 0.40
PIK3CA P42336 1/20 0.40
ALOX15 P16050 3/20 0.39
POLB P06746 2/20 0.36
CD44 P16070 1/20 0.36
TDP1 Q9NUW8 4/20 0.36
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 2/20 0.36
BLM P54132 2/20 0.36
KMT2A Q03164 2/20 0.36
PABPC1 P11940 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CSNK1D P48730 1/20 0.36
MCL1 Q07820 1/20 0.36

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
SCHEMBL2940282 0.87 TRPA1 (0.52) TRPA1ATMELANECTSGTSHR
SCHEMBL2936995 0.83 TRPA1 (0.50) TRPA1ATMELANECTSGTSHR
SCHEMBL2934543 0.78 ALOX15 (0.46) TRPA1ATMELANECTSGTSHR
SCHEMBL2934180 0.77 ALDH1A1 (0.46) TRPA1ATMELANECTSGTSHR
SCHEMBL2938735 0.77 ALOX15 (0.46) TRPA1ELANECTSGTSHRCYP3A4
SCHEMBL2939718 0.77 ESR2 (0.49) ATMELANECTSGTSHRALOX15
SCHEMBL2936870 0.77 TRPA1 (0.50) TRPA1ATMELANECTSGTSHR
SCHEMBL2937969 0.76 TRPA1 (0.42) TRPA1ATMELANECTSGTSHR
SCHEMBL2941031 0.76 ALDH1A1 (0.44) TRPA1ATMELANECTSGTSHR
SCHEMBL1838131 0.74 TSHR (0.53) TRPA1ATMELANECTSGTSHR

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 1270/4885ELANE 4646/4885

“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.