SCHEMBL3674438

SCHEMBL3674438

CC(C)=CCc1c(O)cc(O)cc1C=Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.53
PTGS1 P23219 4/20 0.53
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
CYP19A1 P11511 5/20 0.51
ALOX5 P09917 2/20 0.51
PPARG P37231 2/20 0.44
PPARA Q07869 2/20 0.44
APP P05067 1/20 0.42
TLR9 Q9NR96 1/20 0.42
ABCB1 P08183 1/20 0.42

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
SCHEMBL3674434 1.00 PTGS2 (0.53) PTGS2PTGS1MAOAMAOBCYP19A1
SCHEMBL3675996 0.86 MAOA (0.68) PTGS2PTGS1MAOAMAOBCYP19A1
SCHEMBL3675994 0.86 MAOA (0.68) PTGS2PTGS1MAOAMAOBCYP19A1
SCHEMBL28185918 0.85 MAOA (0.73) PTGS2PTGS1MAOAMAOBCYP19A1
SCHEMBL3674334 0.82 PTGS2 (0.50) PTGS2PTGS1MAOAMAOBCYP19A1
SCHEMBL3674335 0.82 PTGS2 (0.50) PTGS2PTGS1MAOAMAOBCYP19A1
SCHEMBL13824957 0.80 MAOA (0.61) PTGS2PTGS1MAOAMAOBCYP19A1
SCHEMBL17201740 0.80 MAOA (0.61) PTGS2PTGS1MAOAMAOBCYP19A1
SCHEMBL3670315 0.78 PTPN1 (0.52) PTGS2PTGS1MAOAMAOBCYP19A1
SCHEMBL3670316 0.78 PTPN1 (0.52) PTGS2PTGS1MAOAMAOBCYP19A1

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 183/4885MAOA 575/4885
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTGS2 181/4885PTGS1 183/4885MAOA 575/4885
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTGS2 181/4885PTGS1 183/4885MAOA 575/4885
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTGS2 181/4885PTGS1 183/4885MAOA 575/4885

“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.