SCHEMBL4267499

SCHEMBL4267499

COCOc1ccc(C=Cc2cc(OCOC)c(CC=C(C)C)c(OCOC)c2)cc1CC=C(C)C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.50
PTGS1 P23219 2/20 0.50
CYP19A1 P11511 7/20 0.47
AKR1C3 P42330 7/20 0.47
AKR1C2 P52895 7/20 0.47
ALOX5 P09917 5/20 0.47
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
PTGES O14684 2/20 0.43
NFKB1 P19838 1/20 0.43
STAT3 P40763 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
ALOX15 P16050 1/20 0.41
AKR1C4 P17516 1/20 0.40
TRPA1 O75762 1/20 0.40
MTNR1A P48039 1/20 0.40

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
SCHEMBL4267496 1.00 PTGS2 (0.50) PTGS2PTGS1CYP19A1AKR1C3AKR1C2
SCHEMBL6138261 0.82 AKR1C3 (0.43) PTGS2PTGS1CYP19A1AKR1C3AKR1C2
SCHEMBL3303998 0.82 CYP19A1 (0.49) PTGS2PTGS1CYP19A1AKR1C3AKR1C2
SCHEMBL4256045 0.82 TUBB4A (0.51) PTGS2CYP19A1ALOX5MAOAMAOB
SCHEMBL4256050 0.82 TUBB4A (0.51) PTGS2CYP19A1ALOX5MAOAMAOB
SCHEMBL4267562 0.81 ALOX5 (0.51) PTGS2PTGS1CYP19A1ALOX5MAOA
SCHEMBL4267569 0.81 ALOX5 (0.51) PTGS2PTGS1CYP19A1ALOX5MAOA
SCHEMBL4255550 0.81 PPARG (0.53) PTGS2PTGS1CYP19A1ALOX5MAOA
SCHEMBL4255547 0.81 PPARG (0.53) PTGS2PTGS1CYP19A1ALOX5MAOA
SCHEMBL9578238 0.80 ABCB1 (0.60) CYP19A1ALOX5

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-7629375-B2 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 2009-12-08 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-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 183/4885CYP19A1 2245/4885
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTGS2 181/4885PTGS1 183/4885CYP19A1 2245/4885
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTGS2 181/4885PTGS1 183/4885CYP19A1 2245/4885
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTGS2 181/4885PTGS1 183/4885CYP19A1 2245/4885

“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.