SCHEMBL3676767

SCHEMBL3676767

CC(C)=CCc1cc(/C=C/c2ccc([N+](=O)[O-])cc2)cc(O)c1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.66
PTGS1 P23219 3/20 0.52
OSBP P22059 1/20 0.52
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
AKR1B10 O60218 2/20 0.48
AKR1B1 P15121 2/20 0.48
AKR1C3 P42330 2/20 0.48
MMP2 P08253 1/20 0.48
PAK1 Q13153 1/20 0.48
PTPN1 P18031 1/20 0.46
APP P05067 2/20 0.44
CYP19A1 P11511 2/20 0.43
ALOX5 P09917 2/20 0.43
PTGES O14684 1/20 0.43
NFKB1 P19838 1/20 0.43
STAT3 P40763 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
HSPD1 P10809 1/20 0.41

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
SCHEMBL3676768 1.00 PTGS2 (0.66) PTGS2PTGS1OSBPMAOAMAOB
SCHEMBL3671690 0.86 ALOX5 (0.62) PTGS2PTGS1AKR1B10AKR1B1AKR1C3
SCHEMBL3671688 0.86 ALOX5 (0.62) PTGS2PTGS1AKR1B10AKR1B1AKR1C3
SCHEMBL3675994 0.86 MAOA (0.68) PTGS2PTGS1OSBPMAOAMAOB
SCHEMBL3675996 0.86 MAOA (0.68) PTGS2PTGS1OSBPMAOAMAOB
SCHEMBL18130111 0.81 PTGS2 (1.00) PTGS2PTGS1MAOBAPPCYP19A1
SCHEMBL18130109 0.81 PTGS2 (1.00) PTGS2PTGS1MAOBAPPCYP19A1
SCHEMBL5793862 0.78 OSBP (0.55) PTGS2PTGS1OSBPMAOAMAOB
SCHEMBL5793047 0.78 OSBP (0.55) PTGS2PTGS1OSBPMAOAMAOB
SCHEMBL5793866 0.78 OSBP (0.55) PTGS2PTGS1OSBPMAOAMAOB

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 PTGS2 181/4885PTGS1 183/4885OSBP 1284/4885
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTGS2 181/4885PTGS1 183/4885OSBP 1284/4885
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTGS2 181/4885PTGS1 183/4885OSBP 1284/4885
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTGS2 181/4885PTGS1 183/4885OSBP 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.