SCHEMBL3669562

SCHEMBL3669562

COC(=O)c1ccc(C=Cc2ccc(OC)c(OC)c2OC)cc1C(=O)OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 4/20 0.63
CYP1B1 Q16678 4/20 0.63
CYP19A1 P11511 1/20 0.55
APP P05067 1/20 0.51
TUBB1 Q9H4B7 5/20 0.50
CYP1A2 P05177 3/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
CHRNA7 P36544 1/20 0.50
PTGS2 P35354 1/20 0.47
CYP2D6 P10635 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL4261137 0.82 CYP19A1 (0.62) CYP1A1CYP1B1CYP19A1CYP1A2ABCG2
SCHEMBL4260095 0.81 CYP1A1 (0.58) CYP1A1CYP1B1CYP19A1CYP1A2ABCG2
SCHEMBL13926056 0.80 PTGS2 (0.59) CYP1A1CYP1B1CYP19A1APPTUBB1
SCHEMBL15286324 0.78 CYP1A1 (1.00) CYP1A1CYP1B1CYP19A1APPTUBB1
SCHEMBL15286322 0.78 CYP1A1 (1.00) CYP1A1CYP1B1CYP19A1APPTUBB1
SCHEMBL4255798 0.77 ABCG2 (0.61) CYP1A1CYP1B1CYP19A1CYP1A2ABCG2
SCHEMBL4254562 0.75 CYP19A1 (0.64) CYP1A1CYP1B1CYP19A1APPCYP1A2
SCHEMBL4254439 0.75 CYP19A1 (0.59) CYP1A1CYP1B1CYP19A1CYP1A2ABCG2
SCHEMBL4255548 0.75 ABCG2 (0.58) CYP1A1CYP1B1CYP19A1CYP1A2ABCG2
Methyl 2,3,4-Trimethoxybenzoate SCHEMBL1434191 0.75 ALDH1A1 (0.57) TUBB1NPC1RAB9AKDM4EMEN1

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 CYP1A1 1550/4885CYP1B1 1660/4885CYP19A1 2245/4885
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 CYP1A1 1550/4885CYP1B1 1660/4885CYP19A1 2245/4885
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 CYP1A1 1550/4885CYP1B1 1660/4885CYP19A1 2245/4885
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 CYP1A1 1550/4885CYP1B1 1660/4885CYP19A1 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.