SCHEMBL3679957

SCHEMBL3679957

C=Cc1cc(O)c(O)cc1O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.34
TRPA1 O75762 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
LCK P06239 1/20 0.31
CHRNA7 P36544 1/20 0.31

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
SCHEMBL23516391 0.88 XDH (0.37) XDHTRPA1ESR1ESR2LCK
SCHEMBL7120412 0.80 ESR1 (0.33) TRPA1ESR1ESR2
SCHEMBL12165895 0.79 ERN1 (0.43)
SCHEMBL28149229 0.76 MAPT (0.39) XDHTRPA1ESR1ESR2
SCHEMBL20799727 0.76 ERN1 (0.31)
SCHEMBL14345045 0.74 HSP90AA1 (0.43) ESR1ESR2
SCHEMBL22651462 0.74 TRPA1 (0.48) TRPA1
SCHEMBL29174546 0.73 LCK (0.32) LCKCHRNA7
SCHEMBL15632392 0.72 TRPA1 (0.31) TRPA1
SCHEMBL10119253 0.72 AR (0.44) ESR1ESR2

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 9 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-1992607-B9 METHOD FOR PRODUCING 4-OXOQUINOLINE COMPOUND JAPAN TOBACCO INC (JP) 2015-07-01 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 XDH 3031/4885TRPA1 819/4885ESR1 1191/4885
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 XDH 2902/4885TRPA1 582/4885ESR1 1273/4885

“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.