SCHEMBL5495422

SCHEMBL5495422

COc1ccc(/C=C/c2ccc(F)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 7/20 1.00
NQO2 P16083 2/20 0.74
RELA Q04206 3/20 0.67
TRPA1 O75762 1/20 0.65
ESR1 P03372 2/20 0.63
CYP1A2 P05177 2/20 0.63
ABL1 P00519 1/20 0.63
TTR P02766 1/20 0.63
CYP1A1 P04798 1/20 0.63
ABCB1 P08183 1/20 0.63
ALOX5 P09917 1/20 0.63
BCR P11274 1/20 0.63
CYP19A1 P11511 1/20 0.63
PTGS2 P35354 1/20 0.63
CYP1B1 Q16678 1/20 0.63
TUBB4A P04350 1/20 0.63
TUBB P07437 1/20 0.63
TUBA3C P0DPH7 1/20 0.63
AHR P35869 1/20 0.63
TUBA1B P68363 1/20 0.63

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
SCHEMBL5495425 1.00 NFE2L2 (1.00) NFE2L2NQO2RELATRPA1ESR1
SCHEMBL699457 0.88 RELA (0.81) NFE2L2NQO2RELATRPA1ESR1
SCHEMBL4881152 0.88 RELA (0.81) NFE2L2NQO2RELATRPA1ESR1
SCHEMBL13790336 0.88 RELA (0.81) NFE2L2NQO2RELATRPA1ESR1
SCHEMBL631998 0.88 RELA (0.81) NFE2L2NQO2RELATRPA1ESR1
SCHEMBL14950253 0.88 RELA (0.81) NFE2L2NQO2RELATRPA1ESR1
SCHEMBL699458 0.88 RELA (0.81) NFE2L2NQO2RELATRPA1ESR1
SCHEMBL14880245 0.86 NFE2L2 (0.76) NFE2L2NQO2RELATRPA1TUBB4A
SCHEMBL29288695 0.85 RELA (0.77) NFE2L2NQO2RELATRPA1ESR1
SCHEMBL7024215 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8980954-B2 Substituted cis- and trans-stilbenes as therapeutic agents STC.UNM (US) 2015-03-17 US claimed
EP-2810198-B1 ANTI-INVASIVE COMPOUNDS UNIV GENT (BE) 2023-07-12 EP disclosed
US-20220023172-A1 COSMETIC COMPOSITIONS AND METHODS OF USE TRUJILLO KRISTINA (US) 2022-01-27 US disclosed
US-20200397676-A1 COSMETIC COMPOSITIONS AND METHODS OF USE K&K BIOTECH (US) 2020-12-24 US disclosed
WO-2020112998-A1 COSMETIC COMPOSITIONS AND METHODS OF USE STC.UNM (US) 2020-06-04 WO disclosed
US-9925153-B2 Therapeutic agents for skin diseases and conditions STC.UNM (US) 2018-03-27 US disclosed
US-9925153-B2 Therapeutic agents for skin diseases and conditions STC.UNM (US) 2018-03-27 US disclosed
US-20160287531-A1 THERAPEUTIC AGENTS FOR SKIN DISEASES AND CONDITIONS STC.UNM 2016-10-06 US disclosed
US-20160287531-A1 THERAPEUTIC AGENTS FOR SKIN DISEASES AND CONDITIONS STC.UNM 2016-10-06 US disclosed
US-9290427-B2 Anti-invasive compounds UNIVERSITEIT GENT (BE) 2016-03-22 US disclosed
WO-2015085143-A2 THERAPEUTIC AGENTS FOR SKIN DISEASES AND CONDITIONS STC.UNM (US) 2015-06-11 WO disclosed
US-20150087498-A1 Production of Graphene and Nanoparticle Catalysts Supported on Graphene Using Microwave Radiation VIRGINIA COMMONWEALTH UNIVERSITY (US) 2015-03-26 US disclosed
US-8980954-B2 Substituted cis- and trans-stilbenes as therapeutic agents STC.UNM (US) 2015-03-17 US disclosed
US-20150011620-A1 ANTI-INVASIVE COMPOUNDS UNIVERSITEIT GENT (BE) 2015-01-08 US disclosed
EP-2810198-A1 ANTI-INVASIVE COMPOUNDS Universiteit Gent (BE) 2014-12-10 EP disclosed
WO-2013113722-A1 ANTI-INVASIVE COMPOUNDS UNIVERSITEIT GENT (BE) 2013-08-08 WO disclosed
US-20130178536-A1 SUBSTITUTED CIS- AND TRANS-STILBENES AS THERAPEUTIC AGENTS STC.UNM (US) 2013-07-11 US disclosed
US-20130178536-A1 SUBSTITUTED CIS- AND TRANS-STILBENES AS THERAPEUTIC AGENTS STC.UNM (US) 2013-07-11 US disclosed
US-20070249647-A1 Substituted CIS- and trans-stilbenes as therapeutic agents REGENTS OF THE UNIVERSITY OF NEW MEXICO 2007-10-25 US 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-20160287531-A1 THERAPEUTIC AGENTS FOR SKIN DISEASES AND CONDITIONS CUTA, TSLP, ELANE NFE2L2 696/4885NQO2 344/4885RELA 29/4885
US-20220023172-A1 COSMETIC COMPOSITIONS AND METHODS OF USE NFKBIA, IKBKB, NFKB2 NFE2L2 9/4885NQO2 416/4885RELA 32/4885
US-20070249647-A1 Substituted CIS- and trans-stilbenes as therapeutic agents TGFB1, VHL, TMSB10 NFE2L2 68/4885NQO2 869/4885RELA 12/4885
US-20150011620-A1 ANTI-INVASIVE COMPOUNDS MMP3, MMP10, MIF NFE2L2 1215/4885NQO2 2701/4885RELA 402/4885
US-20130178536-A1 SUBSTITUTED CIS- AND TRANS-STILBENES AS THERAPEUTIC AGENTS PSEN1, TERT, PSEN2 NFE2L2 63/4885NQO2 657/4885RELA 10/4885
US-20200397676-A1 COSMETIC COMPOSITIONS AND METHODS OF USE KEAP1, NFE2L2, NQO1 NFE2L2 2/4885NQO2 199/4885RELA 6/4885

“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.