SCHEMBL4258136

SCHEMBL4258136

CC(C)=CCc1c(O)cc(/C=C/c2ccc(O)c([N+](=O)[O-])c2)cc1O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.60
MAOB P27338 2/20 0.60
ALDH5A1 P51649 1/20 0.51
ABAT P80404 1/20 0.51
PPARG P37231 8/20 0.50
PPARA Q07869 8/20 0.50
CYP19A1 P11511 5/20 0.48
PTGS2 P35354 4/20 0.48
ALOX5 P09917 3/20 0.48
PTGS1 P23219 1/20 0.48
EGFR P00533 1/20 0.45
OSBP P22059 1/20 0.44

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
SCHEMBL4258140 1.00 MAOA (0.60) MAOAMAOBALDH5A1ABATPPARG
SCHEMBL3675994 0.84 MAOA (0.68) MAOAMAOBPPARGPPARACYP19A1
SCHEMBL3675996 0.84 MAOA (0.68) MAOAMAOBPPARGPPARACYP19A1
SCHEMBL25612306 0.83 PTGS2 (0.44) MAOAMAOBALDH5A1ABATCYP19A1
SCHEMBL24074947 0.82 MAOA (0.77) MAOAMAOBPPARGPPARACYP19A1
SCHEMBL3677439 0.81 JUN (0.53) MAOAMAOBPPARGPPARACYP19A1
SCHEMBL3677442 0.81 JUN (0.53) MAOAMAOBPPARGPPARACYP19A1
SCHEMBL28961517 0.80 BACE1 (0.48) MAOAMAOBALDH5A1ABATCYP19A1
SCHEMBL30279773 0.80 BACE1 (0.48) MAOAMAOBALDH5A1ABATCYP19A1
SCHEMBL28961519 0.80 BACE1 (0.48) MAOAMAOBALDH5A1ABATCYP19A1

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 MAOA 575/4885MAOB 591/4885ALDH5A1 187/4885
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 MAOA 575/4885MAOB 591/4885ALDH5A1 187/4885
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 MAOA 575/4885MAOB 591/4885ALDH5A1 187/4885
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 MAOA 575/4885MAOB 591/4885ALDH5A1 187/4885

“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.