SCHEMBL388451

SCHEMBL388451

COc1cc(C=Cc2ccc3c(c2)OCO3)cc(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.60
ATM Q13315 1/20 0.60
CYP19A1 P11511 4/20 0.57
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 2/20 0.56
NQO2 P16083 6/20 0.56
CYP1A1 P04798 4/20 0.56
CYP1B1 Q16678 4/20 0.56
TTR P02766 3/20 0.56
ALOX5 P09917 3/20 0.56
ESR1 P03372 2/20 0.56
ABL1 P00519 2/20 0.56
ABCB1 P08183 2/20 0.56
BCR P11274 2/20 0.56
PTGS2 P35354 2/20 0.56
CYP1A2 P05177 1/20 0.56
TUBB4A P04350 1/20 0.56
TUBB P07437 1/20 0.56
TUBA3C P0DPH7 1/20 0.56
AHR P35869 1/20 0.56

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
SCHEMBL388450 1.00 CYP3A4 (0.60) CYP3A4ATMCYP19A1KDM4EALDH1A1
SCHEMBL3674337 0.89 MAPT (0.64) CYP3A4ATMCYP19A1KDM4EALDH1A1
SCHEMBL3674336 0.89 MAPT (0.64) CYP3A4ATMCYP19A1KDM4EALDH1A1
SCHEMBL19500874 0.82 CYP19A1 (0.78) CYP3A4ATMCYP19A1KDM4EALDH1A1
SCHEMBL19472000 0.82 CYP19A1 (0.78) CYP3A4ATMCYP19A1KDM4EALDH1A1
SCHEMBL21317643 0.82 ALDH1A1 (0.66) CYP3A4ATMCYP19A1KDM4EALDH1A1
SCHEMBL21933254 0.81 MAPT (0.66) CYP3A4ATMCYP19A1KDM4EALDH1A1
SCHEMBL3192360 0.81 MAPT (0.70) CYP3A4KDM4EALDH1A1CYP1A1CYP1B1
SCHEMBL3192374 0.81 MAPT (0.70) CYP3A4KDM4EALDH1A1CYP1A1CYP1B1
SCHEMBL15691779 0.77 APP (0.77) CYP3A4ATMCYP19A1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2202215-B1 Novel process for the synthesis of (E)-Stilbene derivatives which makes it possible to obtain resveratrol and piceatannol CLARIANT SPECIALTY FINE CHEM F (FR) 2013-10-02 EP disclosed
EP-2049459-B1 NOVEL PROCESS FOR THE SYNTHESIS OF (E)-STILBENE DERIVATIVES WHICH MAKES IT POSSIBLE TO OBTAIN RESVERATROL AND PICEATANNOL CLARIANT SPECIALTY FINE CHEM F (FR) 2013-10-02 EP disclosed
US-8101804-B2 Process for the synthesis of (E)-stilbene derivatives which makes it possible to obtain resveratrol and piceatannol CLARIANT SPECIALTY FINE CHEMICALS (FRANCE) (FR) 2012-01-24 US disclosed
EP-2202215-A2 Novel process for the synthesis of (E)-Stilbene derivatives which makes it possible to obtain resveratrol and piceatannol Clariant Specialty Fine Chemicals (France) (FR) 2010-06-30 EP disclosed
US-20100004483-A1 Novel Process For The Synthesis Of (E)-Stilbene Derivatives Which Makes It Possible To Obtain Resveratrol And Piceatannol CLARIANT SPECIALTY FINE CHEMICALS (FRANCE) (FR) 2010-01-07 US disclosed
EP-2049459-A1 NOVEL PROCESS FOR THE SYNTHESIS OF (E)-STILBENE DERIVATIVES WHICH MAKES IT POSSIBLE TO OBTAIN RESVERATROL AND PICEATANNOL Clariant Specialty Fine Chemicals (France) (FR) 2009-04-22 EP disclosed
WO-2008012321-A1 NOVEL PROCESS FOR THE SYNTHESIS OF (E)-STILBENE DERIVATIVES WHICH MAKES IT POSSIBLE TO OBTAIN RESVERATROL AND PICEATANNOL CLARIANT SPECIALTY FINE CHEMICALS (FRANCE) (FR) 2008-01-31 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 (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-20100004483-A1 Novel Process For The Synthesis Of (E)-Stilbene Derivatives Which Makes It Possible To Obtain Resveratrol And Piceatannol SQLE, SUCLA2, SORD CYP3A4 64/4885ATM 2802/4885CYP19A1 93/4885

“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.