SCHEMBL5089979

SCHEMBL5089979

Nc1ccc(CC(=O)Nc2cccc(O)c2)cc1O

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 15/20 0.65
SELP P16109 1/20 0.54
SELE P16581 1/20 0.54
HDAC4 P56524 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 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
SCHEMBL5088801 0.87 EPHX2 (0.60) NLRP3SELPSELEMEN1KMT2A
SCHEMBL5089759 0.84 BCHE (0.50) NLRP3SELPSELEHDAC4MEN1
SCHEMBL5183740 0.80 ALDH1A1 (0.60) HDAC4KMT2AL3MBTL1
SCHEMBL5164495 0.80 NLRP3 (0.56) NLRP3HDAC4MEN1KMT2A
SCHEMBL28851551 0.80 NLRP3 (0.67) NLRP3MEN1KMT2A
SCHEMBL29520161 0.79 NLRP3 (0.75) NLRP3MEN1KMT2A
SCHEMBL4423342 0.79 NLRP3 (0.75) NLRP3MEN1KMT2A
Ammonia Solution, Strong SCHEMBL5163148 0.79 NLRP3 (0.55) NLRP3HDAC4MEN1KMT2A
SCHEMBL9525046 0.78 EPHX2 (0.60) SELPSELEMEN1KMT2AL3MBTL1
SCHEMBL25278204 0.77 BCHE (0.55) NLRP3SELPSELEMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008510738-A 2008-04-10 JP claimed
EP-1781597-A1 O-AMINOPHENOL DERIVATIVES AND DYES CONTAINING THESE COMPOUNDS Wella Aktiengesellschaft (DE) 2007-05-09 EP claimed
US-20070099959-A1 O-Aminophenol derivatives and colorants containing these compounds THE PROCTER & GAMBLE COMPANY (US) 2007-05-03 US claimed
WO-2006021256-A1 O-AMINOPHENOL DERIVATIVES AND DYES CONTAINING THESE COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2006-03-02 WO claimed
EP-1781597-A1 O-AMINOPHENOL DERIVATIVES AND DYES CONTAINING THESE COMPOUNDS Wella Aktiengesellschaft (DE) 2007-05-09 EP disclosed
US-20070099959-A1 O-Aminophenol derivatives and colorants containing these compounds THE PROCTER & GAMBLE COMPANY (US) 2007-05-03 US disclosed
WO-2006021256-A1 O-AMINOPHENOL DERIVATIVES AND DYES CONTAINING THESE COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2006-03-02 WO 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-20070099959-A1 O-Aminophenol derivatives and colorants containing these compounds KRT18, TYR, ALPG NLRP3 4364/4885SELP 3573/4885SELE 4798/4885

“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.