SCHEMBL4255533

SCHEMBL4255533

COCOc1cc(/C=C/c2ccc(C(=O)OC)cc2)c(CC=C(C)C)c(OCOC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.41
CYP19A1 P11511 4/20 0.39
ALOX5 P09917 3/20 0.39
PTGS2 P35354 2/20 0.39
BACE1 P56817 2/20 0.39
EGFR P00533 1/20 0.39
ABCB1 P08183 1/20 0.38
OPRD1 P41143 1/20 0.38
MAPT P10636 4/20 0.38
LMNA P02545 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 2/20 0.37
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
PDPK1 O15530 1/20 0.36
TTR P02766 1/20 0.36
MAOA P21397 1/20 0.36

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
SCHEMBL4255537 1.00 PTPN1 (0.41) PTPN1CYP19A1ALOX5PTGS2BACE1
SCHEMBL3669574 0.87 PTPN1 (0.46) PTPN1CYP19A1ALOX5PTGS2BACE1
SCHEMBL3669572 0.87 PTPN1 (0.46) PTPN1CYP19A1ALOX5PTGS2BACE1
SCHEMBL4269043 0.85 CYP19A1 (0.47) PTPN1CYP19A1ALOX5PTGS2BACE1
SCHEMBL4269040 0.85 CYP19A1 (0.47) PTPN1CYP19A1ALOX5PTGS2BACE1
SCHEMBL3675284 0.83 MAPT (0.52) CYP19A1ALOX5PTGS2ABCB1OPRD1
SCHEMBL3675286 0.83 MAPT (0.52) CYP19A1ALOX5PTGS2ABCB1OPRD1
SCHEMBL4259776 0.82 BACE1 (0.40) PTPN1CYP19A1ALOX5PTGS2BACE1
SCHEMBL4259780 0.82 BACE1 (0.40) PTPN1CYP19A1ALOX5PTGS2BACE1
SCHEMBL3676052 0.79 PPARG (0.52)

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 PTPN1 4044/4885CYP19A1 2245/4885ALOX5 131/4885
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTPN1 4044/4885CYP19A1 2245/4885ALOX5 131/4885
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTPN1 4044/4885CYP19A1 2245/4885ALOX5 131/4885
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTPN1 4044/4885CYP19A1 2245/4885ALOX5 131/4885

“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.