SCHEMBL3679968

SCHEMBL3679968

Oc1ccc(C=Cc2cc(F)cc(F)c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.68
PTGS1 P23219 5/20 0.64
APP P05067 3/20 0.64
KDM4E B2RXH2 3/20 0.64
MEN1 O00255 3/20 0.64
MAPT P10636 3/20 0.64
KMT2A Q03164 3/20 0.64
PTGS2 P35354 3/20 0.64
NQO2 P16083 3/20 0.64
CA12 O43570 2/20 0.64
CA1 P00915 2/20 0.64
CA2 P00918 2/20 0.64
CA3 P07451 2/20 0.64
CA4 P22748 2/20 0.64
CA6 P23280 2/20 0.64
CA5A P35218 2/20 0.64
CA7 P43166 2/20 0.64
CA9 Q16790 2/20 0.64
CA13 Q8N1Q1 2/20 0.64
CA14 Q9ULX7 2/20 0.64

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
SCHEMBL3679967 1.00 BACE1 (0.68) BACE1PTGS1APPKDM4EMEN1
SCHEMBL3682514 0.91 PTGS1 (0.72) BACE1PTGS1APPKDM4EMEN1
SCHEMBL3682513 0.91 PTGS1 (0.72) BACE1PTGS1APPKDM4EMEN1
SCHEMBL9605421 0.86 BACE1 (0.54) BACE1PTGS1APPKDM4EMEN1
SCHEMBL3673867 0.83 NFE2L2 (0.64) PTGS1APPPTGS2NQO2ALOX5
SCHEMBL3673865 0.83 NFE2L2 (0.64) PTGS1APPPTGS2NQO2ALOX5
SCHEMBL6464939 0.83 NFE2L2 (0.64) PTGS1APPPTGS2NQO2ALOX5
SCHEMBL17217043 0.83 PTGS1 (0.71) PTGS1APPKDM4EMEN1MAPT
SCHEMBL13647364 0.83 PTGS1 (0.71) PTGS1APPKDM4EMEN1MAPT
SCHEMBL3679884 0.83 PTGS1 (0.84) PTGS1APPKDM4EMEN1MAPT

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-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-1753708-A4 NOVEL SIRTUIN ACTIVATING COMPOUNDS AND METHODS FOR MAKING THE SAME UNIV BRIGHAM YOUNG (US) 2007-12-26 EP disclosed
EP-1753708-A2 NOVEL SIRTUIN ACTIVATING COMPOUNDS AND METHODS FOR MAKING THE SAME Brigham Young University (US) 2007-02-21 EP disclosed
EP-1670484-A1 NITRIC OXIDE DONATING DERIVATIVES FOR THE TREATMENT OF CARDIOVASCULAR DISORDERS RESVERLOGIX CORP. (CA) 2006-06-21 EP disclosed
WO-2005069998-A2 NOVEL SIRTUIN ACTIVATING COMPOUNDS AND METHODS FOR MAKING THE SAME BRIGHAM YOUNG UNIVERSITY TECHNOLOGY TRANSFER OFFICE (US) 2005-08-04 WO disclosed
US-20050080024-A1 Nitric oxide donating derivatives for the treatment of cardiovascular disorders RESVERLOGIX CORP. (CA) 2005-04-14 US disclosed
US-20050080021-A1 Nitric oxide donating derivatives of stilbenes, polyphenols and flavonoids for the treatment of cardiovascular disorders RESVERLOGIX CORP. (CA) 2005-04-14 US disclosed
WO-2005032559-A1 NITRIC OXIDE DONATING DERIVATIVES FOR THE TREATMENT OF CARDIOVASCULAR DISORDERS RESVERLOGIX CORP. (CA) 2005-04-14 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 (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-20050080024-A1 Nitric oxide donating derivatives for the treatment of cardiovascular disorders NOS2, NOS3, NOS1 BACE1 2563/4885PTGS1 98/4885APP 3878/4885
US-20100185006-A1 NOVEL SIRTUIN ACTIVATING COMPOUNDS AND PROCESSES FOR MAKING THE SAME SIRT1, SIRT2, SIRT3 BACE1 2699/4885PTGS1 4110/4885APP 2620/4885
US-20050080021-A1 Nitric oxide donating derivatives of stilbenes, polyphenols and flavonoids for the treatment of cardiovascular disorders NOS2, NOS1, NOS3 BACE1 2275/4885PTGS1 101/4885APP 2984/4885
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 BACE1 4054/4885PTGS1 3702/4885APP 3568/4885

“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.