SCHEMBL392667

SCHEMBL392667

COc1cc(C=Cc2ccc(OC(C)C)cc2)cc(OC)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 7/20 0.72
CYP1B1 Q16678 7/20 0.72
NQO2 P16083 5/20 0.72
ESR1 P03372 4/20 0.72
TTR P02766 4/20 0.72
AHR P35869 3/20 0.72
ALOX5 P09917 3/20 0.72
PTGS2 P35354 3/20 0.72
CYP1A2 P05177 3/20 0.72
ABL1 P00519 2/20 0.72
ABCB1 P08183 2/20 0.72
BCR P11274 2/20 0.72
CYP19A1 P11511 2/20 0.72
TUBB4A P04350 2/20 0.72
TUBB P07437 2/20 0.72
TUBA3C P0DPH7 2/20 0.72
TUBA1B P68363 2/20 0.72
TUBA4A P68366 2/20 0.72
TUBB4B P68371 2/20 0.72
TUBB3 Q13509 2/20 0.72

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
SCHEMBL392666 1.00 CYP1A1 (0.72) CYP1A1CYP1B1NQO2ESR1TTR
Trismethoxyresveratrol SCHEMBL918739 0.85 CYP1A1 (1.00) CYP1A1CYP1B1NQO2ESR1TTR
8Z-3,4',5-Trimethoxystilbene SCHEMBL1006207 0.85 CYP1A1 (1.00) CYP1A1CYP1B1NQO2ESR1TTR
Trismethoxyresveratrol SCHEMBL918740 0.85 CYP1A1 (1.00) CYP1A1CYP1B1NQO2ESR1TTR
SCHEMBL20024678 0.84 ALDH1A3 (0.68) CYP1A1CYP1B1NQO2ESR1TTR
SCHEMBL27224302 0.82 ESR1 (0.65) CYP1A1CYP1B1NQO2ESR1TTR
SCHEMBL13443549 0.81 CYP1A1 (0.91) CYP1A1CYP1B1NQO2ESR1TTR
SCHEMBL3758141 0.81 CYP1A1 (0.91) CYP1A1CYP1B1NQO2ESR1TTR
SCHEMBL7192552 0.80 CYP1A1 (0.54) CYP1A1CYP1B1NQO2ESR1TTR
SCHEMBL7192549 0.80 CYP1A1 (0.54) CYP1A1CYP1B1NQO2ESR1TTR

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 CYP1A1 302/4885CYP1B1 218/4885NQO2 1082/4885

“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.