SCHEMBL3673867

SCHEMBL3673867

Fc1ccc(C=Cc2cc(F)cc(F)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 8/20 0.64
PTGS1 P23219 4/20 0.64
PTGS2 P35354 3/20 0.57
NQO2 P16083 1/20 0.57
ALOX5 P09917 1/20 0.57
APP P05067 1/20 0.52
CYP17A1 P05093 1/20 0.52
CYP21A2 P08686 1/20 0.52
CYP11B1 P15538 1/20 0.52

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
SCHEMBL6464939 1.00 NFE2L2 (0.64) NFE2L2PTGS1PTGS2NQO2ALOX5
SCHEMBL3673865 1.00 NFE2L2 (0.64) NFE2L2PTGS1PTGS2NQO2ALOX5
SCHEMBL22468800 0.86 NFE2L2 (0.78) NFE2L2PTGS1PTGS2NQO2ALOX5
SCHEMBL700052 0.86 NFE2L2 (0.78) NFE2L2PTGS1PTGS2NQO2ALOX5
SCHEMBL13766558 0.86 NFE2L2 (0.78) NFE2L2PTGS1PTGS2NQO2ALOX5
SCHEMBL700051 0.86 NFE2L2 (0.78) NFE2L2PTGS1PTGS2NQO2ALOX5
SCHEMBL13766470 0.86 NFE2L2 (0.78) NFE2L2PTGS1PTGS2NQO2ALOX5
SCHEMBL3679884 0.84 PTGS1 (0.84) NFE2L2PTGS1PTGS2NQO2ALOX5
SCHEMBL18003161 0.84 NFE2L2 (0.53) NFE2L2PTGS1PTGS2NQO2ALOX5
SCHEMBL3679880 0.84 PTGS1 (0.84) NFE2L2PTGS1PTGS2NQO2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753708-A4 NOVEL SIRTUIN ACTIVATING COMPOUNDS AND METHODS FOR MAKING THE SAME UNIV BRIGHAM YOUNG (US) 2007-12-26 EP claimed
EP-1753708-A2 NOVEL SIRTUIN ACTIVATING COMPOUNDS AND METHODS FOR MAKING THE SAME Brigham Young University (US) 2007-02-21 EP claimed
WO-2005069998-A2 NOVEL SIRTUIN ACTIVATING COMPOUNDS AND METHODS FOR MAKING THE SAME BRIGHAM YOUNG UNIVERSITY TECHNOLOGY TRANSFER OFFICE (US) 2005-08-04 WO claimed
EP-1753708-B1 NOVEL SIRTUIN ACTIVATING COMPOUNDS AND METHODS FOR MAKING THE SAME UNIV BRIGHAM YOUNG (US) 2018-02-21 EP disclosed
US-8841477-B2 Sirtuin activating compounds and processes for making the same BRIGHAM YOUNG UNIVERSITY (US) 2014-09-23 US disclosed
US-20100185006-A1 NOVEL SIRTUIN ACTIVATING COMPOUNDS AND PROCESSES FOR MAKING THE SAME BRIGHAM YOUNG UNIVERSITY (US) 2010-07-22 US disclosed
US-7714161-B2 N-heterocyclic carbon-type ligand coupling in the presence of a base with benzyol halide and styrene coupling partners; resveratrol; increased stability for use in the food, cosmetic and pharmaceutical industries BRIGHAM YOUNG UNIVERSITY (US) 2010-05-11 US disclosed
US-20080255382-A1 N-heterocyclic carbon-type ligand coupling in the presence of a base with benzyol halide and styrene coupling partners; resveratrol; increased stability for use in the food, cosmetic and pharmaceutical industries BRIGHAM YOUNG UNIVERSITY 2008-10-16 US disclosed
EP-1585713-A1 NEW STILBENE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR LIGAND ANTAGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2005-10-19 EP disclosed
US-20040147788-A1 Stilbene derivatives and their use as aryl hydrocarbon receptor antagonistic ligands INSTITUTE NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (I.N.S.E.R.M.) (FR) 2004-07-29 US disclosed
WO-2004041758-A1 NEW STILBENE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR LIGAND ANTAGONISTICS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (I.N.S.E.R.M.) (FR) 2004-05-21 WO disclosed
EP-1418164-A1 New stilbene derivatives and their use as aryl hydrocarbon receptor ligand antagonists INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2004-05-12 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 (3 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-20040147788-A1 Stilbene derivatives and their use as aryl hydrocarbon receptor antagonistic ligands AHR, HCAR3, HCAR1 NFE2L2 530/4885PTGS1 2187/4885PTGS2 2185/4885
US-20100185006-A1 NOVEL SIRTUIN ACTIVATING COMPOUNDS AND PROCESSES FOR MAKING THE SAME SIRT1, SIRT2, SIRT3 NFE2L2 144/4885PTGS1 4110/4885PTGS2 3384/4885
US-20080255382-A1 N-heterocyclic carbon-type ligand coupling in the presence of a base with benzyol halide and styrene coupling partners; resveratrol; increased stability for use in the food, cosmetic and pharmaceutical industries RB1, SBK1, NADK NFE2L2 290/4885PTGS1 3702/4885PTGS2 2879/4885

“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.