SCHEMBL4254476

SCHEMBL4254476

COCOc1c(CC=C(C)CCC=C(C)C)cc(C=Cc2ccc([N+](=O)[O-])cc2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.53
CYP19A1 P11511 1/20 0.46
PPARG P37231 5/20 0.46
PPARA Q07869 5/20 0.46
MAPT P10636 2/20 0.46
PTGES O14684 4/20 0.43
MTNR1A P48039 1/20 0.43
KRAS P01116 2/20 0.42
PTGS1 P23219 1/20 0.42
OSBP P22059 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
SCHEMBL4254474 1.00 PTGS2 (0.53) PTGS2CYP19A1PPARGPPARAMAPT
SCHEMBL13572420 1.00 PTGS2 (0.53) PTGS2CYP19A1PPARGPPARAMAPT
SCHEMBL3668118 0.92 PTGS2 (0.60) PTGS2CYP19A1MAPTPTGESKRAS
SCHEMBL3668119 0.92 PTGS2 (0.60) PTGS2CYP19A1MAPTPTGESKRAS
SCHEMBL3671351 0.87 ALOX5 (0.52) PTGS2CYP19A1PPARGPPARAPTGES
SCHEMBL3671350 0.87 ALOX5 (0.52) PTGS2CYP19A1PPARGPPARAPTGES
SCHEMBL4254109 0.87 PPARG (0.51) PTGS2CYP19A1PPARGPPARAMAPT
SCHEMBL4254110 0.87 PPARG (0.51) PTGS2CYP19A1PPARGPPARAMAPT
SCHEMBL4257028 0.86 PTGS2 (0.52) PTGS2CYP19A1MAPTPTGESKRAS
SCHEMBL4257024 0.86 PTGS2 (0.52) PTGS2CYP19A1MAPTPTGESKRAS

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
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
EP-1435894-A4 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS GALILEO PHARMACEUTICALS INC (US) 2005-07-06 EP 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
EP-1435894-A2 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS Galileo Pharmaceuticals, Inc. (US) 2004-07-14 EP disclosed
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER COMPANIES, INC. 2003-04-17 US disclosed
WO-2003009807-A2 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS GALILEO LABORATORIES, INC. (US) 2003-02-06 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 (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 PTGS2 181/4885CYP19A1 2245/4885PPARG 14/4885
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTGS2 181/4885CYP19A1 2245/4885PPARG 14/4885
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTGS2 181/4885CYP19A1 2245/4885PPARG 14/4885
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTGS2 181/4885CYP19A1 2245/4885PPARG 14/4885

“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.