SCHEMBL4258200

SCHEMBL4258200

COc1ccc(C=Cc2ccc(NS(C)(=O)=O)cc2)c(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.59
CYP1A1 P04798 4/20 0.57
CYP1B1 Q16678 4/20 0.57
CYP3A4 P08684 1/20 0.48
NFE2L2 Q16236 5/20 0.46
CYP1A2 P05177 2/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL4254439 0.78 CYP19A1 (0.59) CYP19A1CYP1A1CYP1B1NFE2L2CYP1A2
SCHEMBL4264948 0.78 CYP19A1 (0.67) CYP19A1CYP1A1CYP1B1NFE2L2CYP1A2
SCHEMBL14358814 0.77 KEAP1 (0.58) MAPTKDM4EHPGDALDH1A1
SCHEMBL14358816 0.77 KEAP1 (0.58) MAPTKDM4EHPGDALDH1A1
SCHEMBL5494166 0.76 CYP19A1 (0.73) CYP19A1CYP1A1CYP1B1NFE2L2CYP1A2
SCHEMBL5494173 0.76 CYP19A1 (0.73) CYP19A1CYP1A1CYP1B1NFE2L2CYP1A2
SCHEMBL9190919 0.76 CYP19A1 (0.73) CYP19A1CYP1A1CYP1B1NFE2L2CYP1A2
SCHEMBL4257438 0.75 CYP19A1 (1.00) CYP19A1CYP1A1CYP1B1NFE2L2CYP1A2
SCHEMBL4261137 0.75 CYP19A1 (0.62) CYP19A1CYP1A1CYP1B1CYP3A4NFE2L2
SCHEMBL235883 0.75 NFE2L2 (0.75) CYP19A1CYP1A1CYP1B1NFE2L2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629375-B2 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 2009-12-08 US disclosed
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods GALILEO PHARMACEUTICALS, INC. 2006-08-10 US disclosed
US-20050142155-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER INC. 2005-06-30 US disclosed
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods GALILEO PHARMACEUTICALS, INC. 2005-05-26 US disclosed
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER COMPANIES, INC. 2003-04-17 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 (4 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-20050142155-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 CYP19A1 2245/4885CYP1A1 1550/4885CYP1B1 1660/4885
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 CYP19A1 2245/4885CYP1A1 1550/4885CYP1B1 1660/4885
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 CYP19A1 2245/4885CYP1A1 1550/4885CYP1B1 1660/4885
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 CYP19A1 2245/4885CYP1A1 1550/4885CYP1B1 1660/4885

“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.