SCHEMBL614484

SCHEMBL614484

COc1ccc(C=Cc2ccc(O)c(OC)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 1.00
ALOX5 P09917 2/20 0.78
RELA Q04206 2/20 0.74
NQO2 P16083 1/20 0.74
TTR P02766 1/20 0.72
TUBB4A P04350 2/20 0.71
TUBB P07437 2/20 0.71
TUBA3C P0DPH7 2/20 0.71
TUBA1B P68363 2/20 0.71
TUBA4A P68366 2/20 0.71
TUBB4B P68371 2/20 0.71
TUBB3 Q13509 2/20 0.71
TUBB2A Q13885 2/20 0.71
TUBB8 Q3ZCM7 2/20 0.71
TUBA3E Q6PEY2 2/20 0.71
TUBA1A Q71U36 2/20 0.71
TUBA1C Q9BQE3 2/20 0.71
TUBB6 Q9BUF5 2/20 0.71
TUBB2B Q9BVA1 2/20 0.71
TUBB1 Q9H4B7 2/20 0.71

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
SCHEMBL614483 1.00 NFE2L2 (1.00) NFE2L2ALOX5RELANQO2TTR
SCHEMBL17732299 0.91 TTR (0.85) NFE2L2ALOX5RELATTRAPP
SCHEMBL671149 0.91 TTR (0.85) NFE2L2ALOX5RELATTRAPP
SCHEMBL30807100 0.91 TTR (0.85) NFE2L2ALOX5RELATTRAPP
SCHEMBL671150 0.91 TTR (0.85) NFE2L2ALOX5RELATTRAPP
SCHEMBL25328697 0.88 ALOX5 (1.00) NFE2L2ALOX5RELANQO2TTR
SCHEMBL25328702 0.88 ALOX5 (1.00) NFE2L2ALOX5RELANQO2TTR
SCHEMBL5315843 0.87 TTR (0.80) NFE2L2ALOX5RELATTRAPP
SCHEMBL9616786 0.87 TTR (0.80) NFE2L2ALOX5RELATTRAPP
SCHEMBL25206969 0.86 CXCL12 (0.95) NFE2L2CXCL12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080139650-A1 Fungicidally Active Polymer Dispersions And Use Thereof CELANESE EMULSIONS GMBH (DE) 2008-06-12 US claimed
EP-1796459-A2 FUNGICIDALLY ACTIVE POLYMER DISPERSIONS AND USE THEREOF Celanese Emulsions GmbH (DE) 2007-06-20 EP claimed
WO-2006034762-A2 FUNGICIDALLY ACTIVE POLYMER DISPERSIONS AND USE THEREOF CELANESE EMULSIONS GMBH (DE) 2006-04-06 WO claimed
US-8981152-B2 Microwave induced single step green synthesis of some novel 2-aryl aldehydes and their analogues COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-03-17 US disclosed
US-20140197024-A1 MICROWAVE INDUCED SINGLE STEP GREEN SYNTHESIS OF SOME NOVEL 2-ARYL ALDEHYDES AND THEIR ANALOGUES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-07-17 US disclosed
US-8779200-B2 Microwave induced single step green synthesis of some novel 2-aryl aldehydes and their analogues COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-07-15 US disclosed
US-8716532-B2 One pot multicomponent synthesis of some novel hydroxy stilbene derivatives with alpha, beta-carbonyl conjugation under microwave irradiation COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2014-05-06 US disclosed
US-20120165567-A1 ONE POT MULTICOMPONENT SYNTHESIS OF SOME NOVEL HYDROXY STILBENE DERIVATIVES WITH ALPHA, BETA-CARBONYL CONJUGATION UNDER MICROWAVE IRRADIATION COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2012-06-28 US disclosed
US-20120041234-A1 MICROWAVE INDUCED SINGLE STEP GREEN SYNTHESIS OF SOME NOVEL 2-ARYL ALDEHYDES AND THEIR ANALOGUES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGISTRATION OF SOCIETIES ACT (ACT XXI OF 1860)) (IN) 2012-02-16 US disclosed
WO-2010113005-A2 ONE POT MULTICOMPONENT SYNTHESIS OF SOME NOVEL HYDROXY STILBENE DERIVATIVES WITH ALPHA, BETA-CARBONYL CONJUGATION UNDER MICROWAVE IRRADIATION COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-10-07 WO disclosed
WO-2010097811-A1 MICROWAVE INDUCED SINGLE STEP GREEN SYNTHESIS OF SOME NOVEL 2-ARYL ALDEHYDES AND THEIR ANALOGUES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-09-02 WO disclosed
US-7759527-B2 Microwave induced one pot process for the preparation of arylethenes COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-07-20 US disclosed
US-20080139650-A1 Fungicidally Active Polymer Dispersions And Use Thereof CELANESE EMULSIONS GMBH (DE) 2008-06-12 US disclosed
US-20080045752-A1 Microwave Induced One Pot Process For The Preparation Of Arylethenes COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2008-02-21 US disclosed
US-20070276172-A1 Single step microwave induced process for the preparation of substituted stilbenes and its analogs COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2007-11-29 US disclosed
WO-2007110883-A1 A SINGLE STEP MICROWAVE INDUCED PROCESS FOR THE PREPARATION OF SUBSTITUTED STILBENES AND ITS ANALOGS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2007-10-04 WO disclosed
WO-2007110881-A1 A MICROWAVE INDUCED ONE POT PROCESS FOR THE PREPARATION OF ARYLETHENES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2007-10-04 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 (6 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-20070276172-A1 Single step microwave induced process for the preparation of substituted stilbenes and its analogs HRH3, HPD, TET2 NFE2L2 2018/4885ALOX5 3390/4885RELA 1159/4885
US-20080045752-A1 Microwave Induced One Pot Process For The Preparation Of Arylethenes TET2, HCN4, KDM4E NFE2L2 732/4885ALOX5 2892/4885RELA 1472/4885
US-20120165567-A1 ONE POT MULTICOMPONENT SYNTHESIS OF SOME NOVEL HYDROXY STILBENE DERIVATIVES WITH ALPHA, BETA-CARBONYL CONJUGATION UNDER MICROWAVE IRRADIATION SIK1, SIK2, HCK NFE2L2 237/4885ALOX5 3187/4885RELA 948/4885
US-20080139650-A1 Fungicidally Active Polymer Dispersions And Use Thereof CBR3, CBR1, CYP3A4 NFE2L2 3306/4885ALOX5 251/4885RELA 3212/4885
US-20140197024-A1 MICROWAVE INDUCED SINGLE STEP GREEN SYNTHESIS OF SOME NOVEL 2-ARYL ALDEHYDES AND THEIR ANALOGUES WFS1, EPHX2, MANBA NFE2L2 5/4885ALOX5 492/4885RELA 2020/4885
US-20120041234-A1 MICROWAVE INDUCED SINGLE STEP GREEN SYNTHESIS OF SOME NOVEL 2-ARYL ALDEHYDES AND THEIR ANALOGUES AADAC, NAT1, CTRB1 NFE2L2 567/4885ALOX5 377/4885RELA 689/4885

“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.