SCHEMBL3679961

SCHEMBL3679961

CC(=O)Oc1ccc(/C=C/c2cc(F)cc(OCc3ccccc3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP19A1 P11511 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
TTR P02766 1/20 0.56
TP53 P04637 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAPT P10636 1/20 0.56
KMT2A Q03164 1/20 0.56
MAOB P27338 2/20 0.52
LCK P06239 1/20 0.51
GSK3B P49841 5/20 0.50
BACE1 P56817 5/20 0.50
PPARG P37231 4/20 0.50
PPARA Q07869 4/20 0.50
FFAR1 O14842 3/20 0.50
PPARD Q03181 3/20 0.50

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
SCHEMBL3679964 1.00 CYP1A1 (0.56) CYP1A1CYP1A2CYP19A1SMN1; SMN2KDM4E
SCHEMBL3679467 0.84 CYP1A1 (0.65) CYP1A1CYP1A2CYP19A1MEN1KMT2A
SCHEMBL3679466 0.84 CYP1A1 (0.65) CYP1A1CYP1A2CYP19A1MEN1KMT2A
SCHEMBL13284613 0.82 KDM4E (0.59) CYP19A1SMN1; SMN2KDM4EMEN1LMNA
SCHEMBL3680293 0.81 MAPT (0.73) CYP19A1SMN1; SMN2KDM4EMEN1LMNA
SCHEMBL3680295 0.81 MAPT (0.73) CYP19A1SMN1; SMN2KDM4EMEN1LMNA
SCHEMBL3688258 0.80 KDM4E (0.67) CYP1A1CYP1A2CYP19A1SMN1; SMN2KDM4E
SCHEMBL3688259 0.80 KDM4E (0.67) CYP1A1CYP1A2CYP19A1SMN1; SMN2KDM4E
SCHEMBL2665976 0.79 CYP19A1 (0.50) CYP1A1CYP1A2CYP19A1SMN1; SMN2KDM4E
SCHEMBL16318631 0.79 KDM4E (0.53) CYP1A1CYP1A2CYP19A1SMN1; SMN2KDM4E

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 13 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
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-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-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-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
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.