SCHEMBL4258651

SCHEMBL4258651

COCOc1cc(/C=C/c2ccc(C#N)cc2)cc(OCOC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.49
AHR P35869 3/20 0.49
NQO2 P16083 4/20 0.45
CYP1A1 P04798 3/20 0.45
CYP1B1 Q16678 3/20 0.45
ABL1 P00519 2/20 0.45
TTR P02766 2/20 0.45
ABCB1 P08183 2/20 0.45
ALOX5 P09917 2/20 0.45
BCR P11274 2/20 0.45
CYP19A1 P11511 2/20 0.45
PTGS2 P35354 2/20 0.45
CYP1A2 P05177 2/20 0.45
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 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
SCHEMBL4258655 1.00 ESR1 (0.49) ESR1AHRNQO2CYP1A1CYP1B1
SCHEMBL4258541 0.81 TUBB1 (0.43) ESR1AHRTUBB4ATUBBTUBA3C
SCHEMBL4262136 0.81 TUBB1 (0.52) NQO2CYP1A1CYP1B1CYP19A1CYP1A2
SCHEMBL4258542 0.81 TUBB1 (0.43) ESR1AHRTUBB4ATUBBTUBA3C
SCHEMBL4262138 0.81 TUBB1 (0.52) NQO2CYP1A1CYP1B1CYP19A1CYP1A2
SCHEMBL1659697 0.80 MAOB (0.50) MAPTRAB9AMAOAMAOB
SCHEMBL4261032 0.78 FDPS (0.55) NQO2CYP1A1CYP1B1TTRCYP19A1
SCHEMBL4261037 0.78 FDPS (0.55) NQO2CYP1A1CYP1B1TTRCYP19A1
SCHEMBL4693722 0.78 RELA (0.53) ESR1AHRNQO2CYP1A1CYP1B1
SCHEMBL4693719 0.78 RELA (0.53) ESR1AHRNQO2CYP1A1CYP1B1

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 ESR1 2224/4885AHR 458/4885NQO2 712/4885
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 ESR1 2224/4885AHR 458/4885NQO2 712/4885
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 ESR1 2224/4885AHR 458/4885NQO2 712/4885
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 ESR1 2224/4885AHR 458/4885NQO2 712/4885

“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.