SCHEMBL4257030

SCHEMBL4257030

COc1c(C=Cc2ccc([N+](=O)[O-])cc2)cc(CC=C(C)C)c(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.53
TLR9 Q9NR96 1/20 0.49
PTGS1 P23219 3/20 0.49
CYP19A1 P11511 2/20 0.48
KRAS P01116 2/20 0.46
SNCA P37840 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
NFE2L2 Q16236 1/20 0.41
ABCB1 P08183 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL4262439 0.78 PPARG (0.50) PTGS2TLR9PTGS1CYP19A1KRAS
SCHEMBL3671688 0.78 ALOX5 (0.62) PTGS2TLR9PTGS1CYP19A1KRAS
SCHEMBL3671690 0.78 ALOX5 (0.62) PTGS2TLR9PTGS1CYP19A1KRAS
SCHEMBL3668119 0.77 PTGS2 (0.60) PTGS2TLR9PTGS1CYP19A1KRAS
SCHEMBL3668118 0.77 PTGS2 (0.60) PTGS2TLR9PTGS1CYP19A1KRAS
SCHEMBL3670074 0.77 TLR9 (0.50) PTGS2TLR9PTGS1CYP19A1KRAS
SCHEMBL4257024 0.76 PTGS2 (0.52) PTGS2TLR9PTGS1CYP19A1KRAS
SCHEMBL4257028 0.76 PTGS2 (0.52) PTGS2TLR9PTGS1CYP19A1KRAS
SCHEMBL3676768 0.75 PTGS2 (0.66) PTGS2PTGS1CYP19A1MAOAMAOB
SCHEMBL3676767 0.75 PTGS2 (0.66) PTGS2PTGS1CYP19A1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 181/4885TLR9 2160/4885PTGS1 183/4885
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTGS2 181/4885TLR9 2160/4885PTGS1 183/4885
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTGS2 181/4885TLR9 2160/4885PTGS1 183/4885
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTGS2 181/4885TLR9 2160/4885PTGS1 183/4885

“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.