SCHEMBL698583

SCHEMBL698583

Fc1ccc(/C=C/c2cccc(F)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 14/20 1.00
RELA Q04206 1/20 0.67
PTGS1 P23219 3/20 0.66
NQO2 P16083 1/20 0.66
PTGS2 P35354 1/20 0.62
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
PKM P14618 1/20 0.54
MAPK1 P28482 1/20 0.54
THPO P40225 1/20 0.54

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
SCHEMBL698584 1.00 NFE2L2 (1.00) NFE2L2RELAPTGS1NQO2PTGS2
SCHEMBL9849735 0.95 NFE2L2 (0.91) NFE2L2RELAPTGS1NQO2PTGS2
SCHEMBL700537 0.91 NFE2L2 (1.00) NFE2L2RELAPTGS1NQO2PTGS2
SCHEMBL31317689 0.91 NFE2L2 (1.00) NFE2L2RELAPTGS1NQO2PTGS2
SCHEMBL700536 0.91 NFE2L2 (1.00) NFE2L2RELAPTGS1NQO2PTGS2
SCHEMBL29446272 0.88 NFE2L2 (1.00) NFE2L2RELAPTGS1NQO2PTGS2
SCHEMBL14401249 0.88 NFE2L2 (1.00) NFE2L2RELAPTGS1NQO2PTGS2
SCHEMBL700304 0.88 NFE2L2 (1.00) NFE2L2RELAPTGS1NQO2PTGS2
SCHEMBL700305 0.88 NFE2L2 (1.00) NFE2L2RELAPTGS1NQO2PTGS2
SCHEMBL3366024 0.85 NFE2L2 (0.74) NFE2L2RELAPTGS1NQO2PTGS2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20190160021-A1 Substituted Stilbenes as Inhibitors of NF-kappaB and Activators of Nrf2 STC UNM (US) 2019-05-30 US disclosed
US-9290427-B2 Anti-invasive compounds UNIVERSITEIT GENT (BE) 2016-03-22 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
US-8703388-B2 Optical data storage media GENERAL ELECTRIC COMPANY (US) 2014-04-22 US disclosed
US-8507153-B2 Compositions, optical data storage media and methods for using the optical data storage media GENERAL ELECTRIC COMPANY (US) 2013-08-13 US disclosed
EP-2290408-B1 Compositions, optical data storage media and methods for using the optical data storage media GEN ELECTRIC (US) 2012-08-15 EP disclosed
US-20120163145-A1 OPTICAL DATA STORAGE MEDIA GENERAL ELECTRIC COMPANY (US) 2012-06-28 US disclosed
US-20120052232-A1 USE OF APPENDED DYES IN OPTICAL DATA STORAGE MEDIA GENERAL ELECTRIC COMPANY (US) 2012-03-01 US disclosed
EP-2423917-A2 Use of chemically bonded dyes in holographic data storage media General Electric Company (US) 2012-02-29 EP disclosed
US-8124299-B2 Methods for using optical data storage media GENERAL ELECTRIC COMPANY (US) 2012-02-28 US disclosed
US-20110053054-A1 COMPOSITIONS, OPTICAL DATA STORAGE MEDIA AND METHODS FOR USING THE OPTICAL DATA STORAGE MEDIA GENERAL ELECTRIC COMPANY (US) 2011-03-03 US disclosed
US-20110053055-A1 COMPOSITIONS, OPTICAL DATA STORAGE MEDIA AND METHODS FOR USING THE OPTICAL DATA STORAGE MEDIA GENERAL ELECTRIC COMPANY (US) 2011-03-03 US disclosed
EP-2290408-A1 Compositions, optical data storage media and methods for using the optical data storage media General Electric Company (US) 2011-03-02 EP disclosed
EP-2290651-A1 Compositions, optical data storage media and methods for using the optical data storage media General Electric Company (US) 2011-03-02 EP disclosed
US-20100302927-A1 OPTICAL DATA STORAGE MEDIUM AND METHODS FOR USING THE SAME GENERAL ELECTRIC COMPANY (US) 2010-12-02 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 (4 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-20220023172-A1 COSMETIC COMPOSITIONS AND METHODS OF USE NFKBIA, IKBKB, NFKB2 NFE2L2 9/4885RELA 32/4885PTGS1 263/4885
US-20150011620-A1 ANTI-INVASIVE COMPOUNDS MMP3, MMP10, MIF NFE2L2 1215/4885RELA 402/4885PTGS1 258/4885
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.