SCHEMBL13037451

SCHEMBL13037451

Cc1ccc(-c2ccccc2)cc1CC=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
DCLRE1A Q6PJP8 1/20 0.40
DCLRE1B Q9H816 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
BACE1 P56817 1/20 0.39
BRD4 O60885 1/20 0.39
PTGS1 P23219 1/20 0.38
PTPN1 P18031 2/20 0.36
PTPN2 P17706 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
DHODH Q02127 1/20 0.35
SLC1A3 P43003 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
SCHEMBL9812979 0.82 GABRA1 (0.55) CYP1A2DCLRE1ADCLRE1BKDM4EMAPT
SCHEMBL6546281 0.79 GAA (0.40) CYP1A2DCLRE1ADCLRE1BKDM4EMAPT
SCHEMBL27489870 0.79 ERCC5 (0.43) CYP1A2DCLRE1ADCLRE1BBACE1PTPN1
SCHEMBL13681900 0.79 PTPN1 (0.45) CYP1A2DCLRE1ADCLRE1BKDM4EMAPT
SCHEMBL3784027 0.76 TAAR1 (0.48) CYP1A2DCLRE1ADCLRE1BKDM4EMAPT
SCHEMBL27671603 0.76 GAA (0.42) CYP1A2DCLRE1ADCLRE1BKDM4EMAPT
SCHEMBL2139060 0.76 HPGD (0.42) CYP1A2DCLRE1ADCLRE1BKDM4EMAPT
SCHEMBL6773228 0.76 HPGD (0.50) CYP1A2DCLRE1ADCLRE1BKDM4EMAPT
SCHEMBL6772346 0.76 GAA (0.42) CYP1A2DCLRE1ADCLRE1BKDM4EMAPT
SCHEMBL5306483 0.75 ALOX5 (0.52) CYP1A2DCLRE1ADCLRE1BKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855198-B2 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2010-12-21 US disclosed
US-20090270365-A1 such as N-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(piperidin-1-ylmethyl)biphenyl-4-carboxamide, having vanilloid receptor 1 antagonistic activity, used as analgesics ASTELLAS PHARMA INC. (JP) 2009-10-29 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-20090270365-A1 such as N-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(piperidin-1-ylmethyl)biphenyl-4-carboxamide, having vanilloid receptor 1 antagonistic activity, used as analgesics TRPV1, TRPV2, TRPV3 CYP1A2 2476/4885DCLRE1A 1716/4885DCLRE1B 4746/4885

“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.