SCHEMBL4608535

SCHEMBL4608535

COc1cc(C=Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.79
CYP1A2 P05177 2/20 0.79
CYP1B1 Q16678 2/20 0.79
TUBB1 Q9H4B7 14/20 0.76
TUBB4A P04350 9/20 0.76
TUBB P07437 9/20 0.76
TUBA3C P0DPH7 9/20 0.76
TUBA1B P68363 9/20 0.76
TUBA4A P68366 9/20 0.76
TUBB4B P68371 9/20 0.76
TUBB3 Q13509 9/20 0.76
TUBB2A Q13885 9/20 0.76
TUBB8 Q3ZCM7 9/20 0.76
TUBA3E Q6PEY2 9/20 0.76
TUBA1A Q71U36 9/20 0.76
TUBA1C Q9BQE3 9/20 0.76
TUBB6 Q9BUF5 9/20 0.76
TUBB2B Q9BVA1 9/20 0.76
CYP19A1 P11511 1/20 0.70
NQO2 P16083 1/20 0.70

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
SCHEMBL4608533 1.00 CYP1A1 (0.79) CYP1A1CYP1A2CYP1B1TUBB1TUBB4A
SCHEMBL4659251 0.93 TUBB1 (0.85) CYP1A1CYP1A2CYP1B1TUBB1TUBB4A
SCHEMBL6896671 0.93 TUBB1 (0.85) CYP1A1CYP1A2CYP1B1TUBB1TUBB4A
SCHEMBL631213 0.93 TUBB1 (0.85) CYP1A1CYP1A2CYP1B1TUBB1TUBB4A
SCHEMBL2622571 0.90 CYP1A1 (0.67) CYP1A1CYP1A2CYP1B1TUBB1TUBB4A
SCHEMBL2357479 0.89 ABL1 (0.69) CYP1A1CYP1A2CYP1B1TUBB1TUBB4A
SCHEMBL1393611 0.89 CYP1A1 (1.00) CYP1A1CYP1A2CYP1B1TUBB1TUBB4A
SCHEMBL6702450 0.89 CYP1A1 (0.69) CYP1A1CYP1A2CYP1B1TUBB1TUBB4A
SCHEMBL2357485 0.89 ABL1 (0.69) CYP1A1CYP1A2CYP1B1TUBB1TUBB4A
SCHEMBL1393613 0.89 CYP1A1 (1.00) CYP1A1CYP1A2CYP1B1TUBB1TUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654210-B1 STILBENE DERIVATIVES AND THEIR USE IN MEDICAMENTS SZEKERES THOMAS (AT) 2008-07-30 EP claimed
US-20070191627-A1 Stilbene derivatives and their use in medicaments SZEKERES THOMAS 2007-08-16 US claimed
EP-1654210-A2 STILBENE DERIVATIVES AND THEIR USE IN MEDICAMENTS Szekeres, Thomas (AT) 2006-05-10 EP claimed
WO-2005102298-A1 MEDICAL SUBSTANCE MIXTURES CONTAINING RESVERATROL OR RESVERATROL-DERIVATIVES, IN ADDITION TO THE USE THEREOF IN THE PRODUCTION OF MEDICAMENTS SZEKERES THOMAS (AT) 2005-11-03 WO claimed
WO-2005016860-A2 STILBENE DERIVATIVES AND THEIR USE IN MEDICAMENTS SZEKERES THOMAS (AT) 2005-02-24 WO claimed
EP-1654210-B1 STILBENE DERIVATIVES AND THEIR USE IN MEDICAMENTS SZEKERES THOMAS (AT) 2008-07-30 EP disclosed
US-20070191627-A1 Stilbene derivatives and their use in medicaments SZEKERES THOMAS 2007-08-16 US disclosed
EP-1654210-A2 STILBENE DERIVATIVES AND THEIR USE IN MEDICAMENTS Szekeres, Thomas (AT) 2006-05-10 EP disclosed
US-7026518-B2 Resveratrol analogs LAILA IMPEX (IN) 2006-04-11 US disclosed
WO-2005016860-A2 STILBENE DERIVATIVES AND THEIR USE IN MEDICAMENTS SZEKERES THOMAS (AT) 2005-02-24 WO disclosed
US-20040209951-A1 Novel resveratrol analogs LAILA IMPEX (IN) 2004-10-21 US disclosed
WO-2004000302-A1 NOVEL RESVERATROL ANALOGS GOKARAJU GANGA RAJU (IN) 2003-12-31 WO disclosed
US-4533505-A REACTION OF ETHYLENE IWITH ACID HALIDES IN THE PRESENCE OF A BASE AND A PALLADIUM CATALYST CIBA-GEIGY CORPORATION (US) 1985-08-06 US disclosed
EP-0062005-B1 PROCESS FOR THE MANUFACTURE OF STYRENE AND/OR STILBENE DERIVATIVES CIBA-GEIGY AG (CH) 1985-06-26 EP disclosed
EP-0062005-A1 Process for the manufacture of styrene and/or stilbene derivatives CIBA-GEIGY AG (CH) 1982-10-06 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 (2 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-20040209951-A1 Novel resveratrol analogs HRH1, CBR1, CBR3 CYP1A1 505/4885CYP1A2 1908/4885CYP1B1 362/4885
US-20070191627-A1 Stilbene derivatives and their use in medicaments PTGS2, PTGS1, PTGER2 CYP1A1 371/4885CYP1A2 167/4885CYP1B1 275/4885

“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.