SCHEMBL5086765

SCHEMBL5086765

Nc1ccc(CC(=O)NCCO)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.50
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
CA2 P00918 7/20 0.46
CA1 P00915 6/20 0.46
HSD17B2 P37059 2/20 0.45
ERCC1 P07992 5/20 0.43
ERCC4 Q92889 5/20 0.43
ALDH1A1 P00352 1/20 0.42
GFER P55789 1/20 0.42
SELL P14151 1/20 0.41
SELP P16109 1/20 0.41
SELE P16581 1/20 0.41
IARS1 P41252 1/20 0.40
CA5A P35218 1/20 0.40

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
SCHEMBL5089854 0.91 TRPV1 (0.55) TRPV1GAAKDM4EMEN1POLB
SCHEMBL5090330 0.90 TRPV1 (0.57) TRPV1GAAKDM4EMEN1POLB
SCHEMBL5095795 0.88 TRPV1 (0.50) TRPV1GAAKDM4EMEN1POLB
SCHEMBL5089884 0.86 TRPV1 (0.59) TRPV1GAAKDM4EMEN1POLB
SCHEMBL5094905 0.86 CA2 (0.48) TRPV1GAAKDM4EMEN1POLB
SCHEMBL5094903 0.85 TRPV1 (0.55) TRPV1GAAKDM4EMEN1POLB
SCHEMBL5088894 0.84 TRPV1 (0.68) TRPV1GAAKDM4EMEN1POLB
SCHEMBL5088853 0.83 TRPV1 (0.51) TRPV1GAAKDM4EMEN1POLB
SCHEMBL5086747 0.82 CA2 (0.67) TRPV1GAAKDM4EMEN1POLB
Phosphoric Acid SCHEMBL5434016 0.81 TRPV1 (0.54) TRPV1GAAKDM4EMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008510738-A 2008-04-10 JP claimed
CN-101044112-A O-aminophenol derivatives and colorants containing these compounds PROCTER & GAMBLE (US) 2007-09-26 CN 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 TRPV1 1096/4885GAA 4376/4885KDM4E 586/4885

“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.