SCHEMBL3671999

SCHEMBL3671999

CC(C)=CCC/C(C)=C/Cc1c(O)cc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1O

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.73
PPARA Q07869 12/20 0.73
OSBP P22059 1/20 0.60
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
PTGS2 P35354 2/20 0.53
PTPN1 P18031 1/20 0.53
BACE1 P56817 1/20 0.53
MGAM O43451 1/20 0.52
PTGES O14684 1/20 0.48
ALOX5 P09917 1/20 0.48
PTGS1 P23219 1/20 0.48

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
SCHEMBL3672000 1.00 PPARG (0.73) PPARGPPARAOSBPMAOAMAOB
SCHEMBL3675994 0.89 MAOA (0.68) PPARGPPARAOSBPMAOAMAOB
SCHEMBL3675996 0.89 MAOA (0.68) PPARGPPARAOSBPMAOAMAOB
SCHEMBL24755067 0.86 PTPN1 (0.55) PPARGPPARAMAOBPTGS2PTPN1
SCHEMBL24074948 0.84 PPARG (1.00) PPARGPPARAOSBPMAOAMAOB
Schweinfurthin J SCHEMBL31544937 0.83 PPARG (0.97) PPARGPPARAOSBPMAOAMAOB
SCHEMBL4254109 0.82 PPARG (0.51) PPARGPPARAPTGS2PTGESPTGS1
SCHEMBL4254110 0.82 PPARG (0.51) PPARGPPARAPTGS2PTGESPTGS1
Pawhuskin C SCHEMBL18748568 0.82 PPARG (0.81) PPARGPPARAOSBPMAOAMAOB
Amorphastilbol SCHEMBL22607926 0.82 PPARG (1.00) PPARGPPARAOSBPMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4425628-B2 2010-03-03 JP claimed
EP-1435894-A4 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS GALILEO PHARMACEUTICALS INC (US) 2005-07-06 EP claimed
JP-2005505519-A 2005-02-24 JP claimed
EP-1435894-A2 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS Galileo Pharmaceuticals, Inc. (US) 2004-07-14 EP claimed
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER COMPANIES, INC. 2003-04-17 US claimed
WO-2003009807-A2 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS GALILEO LABORATORIES, INC. (US) 2003-02-06 WO claimed
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 PPARG 14/4885PPARA 54/4885OSBP 1284/4885
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PPARG 14/4885PPARA 54/4885OSBP 1284/4885
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PPARG 14/4885PPARA 54/4885OSBP 1284/4885
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PPARG 14/4885PPARA 54/4885OSBP 1284/4885

“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.