SCHEMBL3667178

SCHEMBL3667178

O=C(O)c1cc(/C=C/c2ccc([N+](=O)[O-])cc2)ccc1O

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.73
PTPN2 P17706 1/20 0.73
PTPN6 P29350 1/20 0.73
HNF4A P41235 1/20 0.67
ALDH1A1 P00352 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
PTGS2 P35354 3/20 0.60
PTGS1 P23219 1/20 0.58
MAOB P27338 2/20 0.57
LCK P06239 1/20 0.56
APP P05067 5/20 0.55
HSPD1 P10809 1/20 0.55
HSPE1 P61604 1/20 0.55
PIM1 P11309 1/20 0.54

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
SCHEMBL3667180 1.00 PTPN1 (0.73) PTPN1PTPN2PTPN6HNF4AALDH1A1
SCHEMBL4258531 0.90 PTPN1 (0.58) PTPN1PTPN2PTPN6HNF4AALDH1A1
SCHEMBL4258538 0.90 PTPN1 (0.58) PTPN1PTPN2PTPN6HNF4AALDH1A1
SCHEMBL1048686 0.85 PTPN1 (1.00) PTPN1PTPN2PTPN6HNF4AALDH1A1
SCHEMBL29938670 0.85 PTPN1 (1.00) PTPN1PTPN2PTPN6HNF4AALDH1A1
SCHEMBL6266629 0.85 PTPN1 (1.00) PTPN1PTPN2PTPN6HNF4AALDH1A1
SCHEMBL6266631 0.85 PTPN1 (1.00) PTPN1PTPN2PTPN6HNF4AALDH1A1
SCHEMBL3672518 0.82 PTGS2 (0.75) ALDH1A1SMN1; SMN2TDP1PTGS2PTGS1
SCHEMBL3672520 0.82 PTGS2 (0.75) ALDH1A1SMN1; SMN2TDP1PTGS2PTGS1
SCHEMBL129889 0.82 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2TDP1PTGS2

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 17 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-20110251075-A1 SYSTEM AND METHOD FOR THE ANALYSIS OF BODILY FLUIDS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-10-13 US disclosed
US-7651868-B2 Method and system for the analysis of saliva using a sensor array THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-01-26 US disclosed
US-7629375-B2 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 2009-12-08 US disclosed
US-7316899-B2 Portable sensor array system THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-01-08 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 PTPN1 4044/4885PTPN2 3674/4885PTPN6 3507/4885
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTPN1 4044/4885PTPN2 3674/4885PTPN6 3507/4885
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTPN1 4044/4885PTPN2 3674/4885PTPN6 3507/4885
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTPN1 4044/4885PTPN2 3674/4885PTPN6 3507/4885

“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.