SCHEMBL3675448

SCHEMBL3675448

Cc1cc(/C=C/c2ccc([N+](=O)[O-])cc2)cc(C)c1O

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.71
PTGS1 P23219 9/20 0.68
ALOX5 P09917 7/20 0.61
TTR P02766 1/20 0.56
CYP19A1 P11511 2/20 0.54
APP P05067 2/20 0.53
NPC1 O15118 1/20 0.53
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.53
FBP1 P09467 1/20 0.51
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50

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
SCHEMBL3675450 1.00 PTGS2 (0.71) PTGS2PTGS1ALOX5TTRCYP19A1
SCHEMBL4258531 0.85 PTPN1 (0.58) PTGS2PTGS1TTRAPPMAOB
SCHEMBL4258538 0.85 PTPN1 (0.58) PTGS2PTGS1TTRAPPMAOB
SCHEMBL12644210 0.84 KMT2A (0.55) PTGS2PTGS1ALOX5TTRMAPT
SCHEMBL18130111 0.83 PTGS2 (1.00) PTGS2PTGS1CYP19A1APPNPC1
SCHEMBL9828020 0.83 ALDH1A1 (0.63) PTGS2PTGS1CYP19A1APPNPC1
SCHEMBL9828022 0.83 ALDH1A1 (0.63) PTGS2PTGS1CYP19A1APPNPC1
SCHEMBL18130109 0.83 PTGS2 (1.00) PTGS2PTGS1CYP19A1APPNPC1
SCHEMBL3675266 0.81 PTGS2 (1.00) PTGS2PTGS1ALOX5TTRCYP19A1
SCHEMBL3675268 0.81 PTGS2 (1.00) PTGS2PTGS1ALOX5TTRCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4425628-B2 2010-03-03 JP claimed
US-20060106014-A1 Methods for treating diabetes ELI LILLY AND COMPANY 2006-05-18 US claimed
WO-2006044556-A2 DUAL INHIBITORS OF LIPOXYGENASE FOR TREATING DIABETES GALILEO PHARMACEUTICALS, INC. (US) 2006-04-27 WO 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
US-20060106014-A1 Methods for treating diabetes ELI LILLY AND COMPANY 2006-05-18 US disclosed
WO-2006044556-A2 DUAL INHIBITORS OF LIPOXYGENASE FOR TREATING DIABETES GALILEO PHARMACEUTICALS, INC. (US) 2006-04-27 WO 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 (5 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-20060106014-A1 Methods for treating diabetes ALOX5, ALOX15, ALOX15B PTGS2 60/4885PTGS1 89/4885ALOX5 1/4885
US-20050142155-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTGS2 181/4885PTGS1 183/4885ALOX5 131/4885
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTGS2 181/4885PTGS1 183/4885ALOX5 131/4885
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTGS2 181/4885PTGS1 183/4885ALOX5 131/4885
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTGS2 181/4885PTGS1 183/4885ALOX5 131/4885

“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.