SCHEMBL3679467

SCHEMBL3679467

Fc1ccc(C=Cc2cc(F)cc(OCc3ccccc3)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.65
CYP1A2 P05177 1/20 0.65
CYP19A1 P11511 1/20 0.65
LCK P06239 1/20 0.58
MAOB P27338 4/20 0.55
MAOA P21397 3/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NFE2L2 Q16236 1/20 0.49
NQO2 P16083 1/20 0.47
PTGS1 P23219 1/20 0.47
GSK3B P49841 2/20 0.47
BACE1 P56817 2/20 0.47
TLR4 O00206 1/20 0.46
TLR2 O60603 1/20 0.46
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CDK4 P11802 1/20 0.46
CCNB1 P14635 1/20 0.46
CCND1 P24385 1/20 0.46

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
SCHEMBL3679466 1.00 CYP1A1 (0.65) CYP1A1CYP1A2CYP19A1LCKMAOB
SCHEMBL3679961 0.84 CYP1A1 (0.56) CYP1A1CYP1A2CYP19A1LCKMAOB
SCHEMBL3679964 0.84 CYP1A1 (0.56) CYP1A1CYP1A2CYP19A1LCKMAOB
SCHEMBL6308482 0.83 LCK (0.77) CYP1A1CYP1A2CYP19A1LCKMAOB
SCHEMBL3650797 0.83 LCK (0.77) CYP1A1CYP1A2CYP19A1LCKMAOB
SCHEMBL3650792 0.83 LCK (0.77) CYP1A1CYP1A2CYP19A1LCKMAOB
SCHEMBL28441803 0.82 CYP1A2 (0.73) CYP1A1CYP1A2CYP19A1LCKMAOB
SCHEMBL3242914 0.82 MAOB (0.65) CYP1A1CYP1A2CYP19A1LCKMAOB
SCHEMBL5042093 0.81 ALOX5 (0.55) CYP1A1CYP1A2CYP19A1MAOBMAOA
SCHEMBL31160636 0.81 MEN1 (0.59) CYP1A2MAOBMAOAMEN1KMT2A

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 8 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20100185006-A1 NOVEL SIRTUIN ACTIVATING COMPOUNDS AND PROCESSES FOR MAKING THE SAME SIRT1, SIRT2, SIRT3 CYP1A1 743/4885CYP1A2 1138/4885CYP19A1 340/4885
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 CYP1A1 772/4885CYP1A2 1064/4885CYP19A1 790/4885

“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.