SCHEMBL6463507

SCHEMBL6463507

COc1cc(/C=C\c2ccc(F)cc2)cc(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 4/20 1.00
CYP1A1 P04798 5/20 0.74
CYP1B1 Q16678 5/20 0.74
ESR1 P03372 4/20 0.74
NFE2L2 Q16236 4/20 0.74
CYP1A2 P05177 3/20 0.74
ABL1 P00519 2/20 0.74
TTR P02766 2/20 0.74
ABCB1 P08183 2/20 0.74
ALOX5 P09917 2/20 0.74
BCR P11274 2/20 0.74
CYP19A1 P11511 2/20 0.74
PTGS2 P35354 2/20 0.74
TUBB4A P04350 2/20 0.74
TUBB P07437 2/20 0.74
TUBA3C P0DPH7 2/20 0.74
AHR P35869 2/20 0.74
TUBA1B P68363 2/20 0.74
TUBA4A P68366 2/20 0.74
TUBB4B P68371 2/20 0.74

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
SCHEMBL6803777 1.00 NQO2 (1.00) NQO2CYP1A1CYP1B1ESR1NFE2L2
SCHEMBL2131725 1.00 NQO2 (1.00) NQO2CYP1A1CYP1B1ESR1NFE2L2
SCHEMBL18002818 0.88 NQO2 (0.77) NQO2CYP1A1CYP1B1ESR1NFE2L2
SCHEMBL22589828 0.88 NQO2 (0.77) NQO2CYP1A1CYP1B1ESR1NFE2L2
SCHEMBL22589830 0.88 NQO2 (0.77) NQO2CYP1A1CYP1B1ESR1NFE2L2
SCHEMBL22589832 0.88 NQO2 (0.77) NQO2CYP1A1CYP1B1ESR1NFE2L2
SCHEMBL22589833 0.88 NQO2 (0.77) NQO2CYP1A1CYP1B1ESR1NFE2L2
SCHEMBL5495425 0.85 NFE2L2 (1.00) NQO2CYP1A1CYP1B1ESR1NFE2L2
SCHEMBL5495422 0.85 NFE2L2 (1.00) NQO2CYP1A1CYP1B1ESR1NFE2L2
Trismethoxyresveratrol SCHEMBL918739 0.85 CYP1A1 (1.00) NQO2CYP1A1CYP1B1ESR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1585713-A1 NEW STILBENE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR LIGAND ANTAGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2005-10-19 EP disclosed
US-20040147788-A1 Stilbene derivatives and their use as aryl hydrocarbon receptor antagonistic ligands INSTITUTE NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (I.N.S.E.R.M.) (FR) 2004-07-29 US disclosed
WO-2004041758-A1 NEW STILBENE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR LIGAND ANTAGONISTICS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (I.N.S.E.R.M.) (FR) 2004-05-21 WO disclosed
EP-1418164-A1 New stilbene derivatives and their use as aryl hydrocarbon receptor ligand antagonists INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2004-05-12 EP 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 (1 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-20040147788-A1 Stilbene derivatives and their use as aryl hydrocarbon receptor antagonistic ligands AHR, HCAR3, HCAR1 NQO2 1587/4885CYP1A1 72/4885CYP1B1 96/4885

“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.