SCHEMBL4255409

SCHEMBL4255409

COCOc1cc(/C=C/c2ccc([N+](=O)[O-])cc2)cc(OCOC)c1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.71
PTGS1 P23219 2/20 0.71
MAPT P10636 2/20 0.56
CYP19A1 P11511 3/20 0.54
TLR9 Q9NR96 1/20 0.51
NFE2L2 Q16236 1/20 0.48
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
APP P05067 1/20 0.46
MAOB P27338 2/20 0.45
FBP1 P09467 1/20 0.45
MAOA P21397 1/20 0.45

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
SCHEMBL4255411 1.00 PTGS2 (0.71) PTGS2PTGS1MAPTCYP19A1TLR9
SCHEMBL3670590 0.83 PTGS2 (0.57) PTGS2PTGS1MAPTCYP19A1TLR9
SCHEMBL3670593 0.83 PTGS2 (0.57) PTGS2PTGS1MAPTCYP19A1TLR9
SCHEMBL4733440 0.83 PTGS2 (1.00) PTGS2PTGS1MAPTCYP19A1TLR9
SCHEMBL3392246 0.83 PTGS2 (1.00) PTGS2PTGS1MAPTCYP19A1TLR9
SCHEMBL4735253 0.83 PTGS2 (1.00) PTGS2PTGS1MAPTCYP19A1TLR9
SCHEMBL4262172 0.82 PTGS2 (0.56) PTGS2PTGS1MAPTCYP19A1TLR9
SCHEMBL4254978 0.82 PTGS2 (0.75) PTGS2PTGS1MAPTCYP19A1TLR9
SCHEMBL4262174 0.82 PTGS2 (0.56) PTGS2PTGS1MAPTCYP19A1TLR9
SCHEMBL4254981 0.82 PTGS2 (0.75) PTGS2PTGS1MAPTCYP19A1TLR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER COMPANIES, INC. 2003-04-17 US 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-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
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER COMPANIES, INC. 2003-04-17 US 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 183/4885MAPT 2548/4885
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTGS2 181/4885PTGS1 183/4885MAPT 2548/4885
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTGS2 181/4885PTGS1 183/4885MAPT 2548/4885
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTGS2 181/4885PTGS1 183/4885MAPT 2548/4885

“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.