SCHEMBL5490778

SCHEMBL5490778

COc1ccc(/C=C/c2cccc(F)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 11/20 1.00
RELA Q04206 4/20 1.00
PTGS1 P23219 1/20 0.68
APP P05067 1/20 0.65
TRPA1 O75762 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
SCHEMBL14401253 1.00 NFE2L2 (1.00) NFE2L2RELAPTGS1APPTRPA1
SCHEMBL5490783 1.00 NFE2L2 (1.00) NFE2L2RELAPTGS1APPTRPA1
SCHEMBL21030080 0.87 NFE2L2 (1.00) NFE2L2RELAPTGS1
SCHEMBL10338773 0.87 RELA (0.85) NFE2L2RELAPTGS1APPTRPA1
SCHEMBL18240792 0.86 NFE2L2 (0.75) NFE2L2RELAPTGS1APPTRPA1
SCHEMBL9849735 0.84 NFE2L2 (0.91) NFE2L2RELAPTGS1
SCHEMBL6461623 0.83 NFE2L2 (0.74) NFE2L2RELAPTGS1TRPA1
SCHEMBL699631 0.83 RELA (1.00) NFE2L2RELAAPPTRPA1
SCHEMBL13778224 0.83 RELA (1.00) NFE2L2RELAAPPTRPA1
SCHEMBL6470139 0.83 NFE2L2 (0.74) NFE2L2RELAPTGS1TRPA1

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
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-20190160021-A1 Substituted Stilbenes as Inhibitors of NF-kappaB and Activators of Nrf2 STC UNM (US) 2019-05-30 US 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
WO-2015085143-A2 THERAPEUTIC AGENTS FOR SKIN DISEASES AND CONDITIONS STC.UNM (US) 2015-06-11 WO disclosed
WO-2015085143-A2 THERAPEUTIC AGENTS FOR SKIN DISEASES AND CONDITIONS STC.UNM (US) 2015-06-11 WO disclosed
US-8980954-B2 Substituted cis- and trans-stilbenes as therapeutic agents STC.UNM (US) 2015-03-17 US disclosed
US-8980954-B2 Substituted cis- and trans-stilbenes as therapeutic agents STC.UNM (US) 2015-03-17 US disclosed
US-8980954-B2 Substituted cis- and trans-stilbenes as therapeutic agents STC.UNM (US) 2015-03-17 US disclosed
US-20140271470-A1 TARGETED THERANOSTICS FOR METASTATIC PROSTATE CANCER THE REGENTS OF THE UNIVERSITY OF NEW MEXICO 2014-09-18 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
US-20070249647-A1 Substituted CIS- and trans-stilbenes as therapeutic agents REGENTS OF THE UNIVERSITY OF NEW MEXICO 2007-10-25 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 (7 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-20190160021-A1 Substituted Stilbenes as Inhibitors of NF-kappaB and Activators of Nrf2 NFKBIA, NFE2L2, NFKB2 NFE2L2 2/4885RELA 4/4885PTGS1 312/4885
US-20160287531-A1 THERAPEUTIC AGENTS FOR SKIN DISEASES AND CONDITIONS CUTA, TSLP, ELANE NFE2L2 696/4885RELA 29/4885PTGS1 1081/4885
US-20220023172-A1 COSMETIC COMPOSITIONS AND METHODS OF USE NFKBIA, IKBKB, NFKB2 NFE2L2 9/4885RELA 32/4885PTGS1 263/4885
US-20070249647-A1 Substituted CIS- and trans-stilbenes as therapeutic agents TGFB1, VHL, TMSB10 NFE2L2 68/4885RELA 12/4885PTGS1 26/4885
US-20140271470-A1 TARGETED THERANOSTICS FOR METASTATIC PROSTATE CANCER KLK3, ACP3, FOLH1 NFE2L2 902/4885RELA 524/4885PTGS1 683/4885
US-20130178536-A1 SUBSTITUTED CIS- AND TRANS-STILBENES AS THERAPEUTIC AGENTS PSEN1, TERT, PSEN2 NFE2L2 63/4885RELA 10/4885PTGS1 83/4885
US-20200397676-A1 COSMETIC COMPOSITIONS AND METHODS OF USE KEAP1, NFE2L2, NQO1 NFE2L2 2/4885RELA 6/4885PTGS1 127/4885

“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.