SCHEMBL3677559

SCHEMBL3677559

C=Cc1cc(O)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 3/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
ESR2 Q92731 9/20 0.40
ESR1 P03372 7/20 0.40
ESRRB O95718 1/20 0.40
ESRRA P11474 1/20 0.40
TTR P02766 1/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 3/20 0.35
ALOX15 P16050 3/20 0.35
HSD17B10 Q99714 2/20 0.35
THRB P10828 2/20 0.35
HIF1A Q16665 2/20 0.35
CA3 P07451 1/20 0.35
CA6 P23280 1/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL17057608 0.77 CA14 (0.41) CA14CA12CA1CA2CA7
SCHEMBL4940592 0.77 CA12 (0.41) CA14CA12CA1CA2CA7
SCHEMBL3480852 0.76 CASP1 (0.37) ALDH1A1CYP3A4ALOX15HSD17B10THRB
SCHEMBL30152425 0.76 EGFR (0.47) ESR2ESR1ALDH1A1ALOX15HSD17B10
SCHEMBL71628 0.76 EGFR (0.47) ESR2ESR1ALDH1A1ALOX15HSD17B10
SCHEMBL14135594 0.74 ALDH1A1 (0.46) ALDH1A1TDP1
SCHEMBL29202693 0.74 ESR2 (0.40) CA14CA12CA1CA2CA7
SCHEMBL2104286 0.73 BACE1 (0.45) ESR2ESR1ESRRBESRRATTR
SCHEMBL13363012 0.73 TDP1 (0.52) CA1ALDH1A1CYP3A4ALOX15HSD17B10
SCHEMBL19798041 0.73 ESR2 (0.45) CA14CA9ESR2ESR1ESRRB

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
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-1777218-A1 Process for the preparation of 4-phenoxy quinoline derivatives Eisai R&D Management Co., Ltd. (JP) 2007-04-25 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
EP-0996870-B1 IMPROVED DISSOLUTION INHIBITION RESISTS FOR MICROLITHOGRAPHY DU PONT (US) 2004-03-24 EP disclosed
US-6319648-B1 USED FOR IMAGING MATERIALS OF SEMICONDUCTOR DEVICE E. I. DU PONT DE NEMOURS AND COMPANY 2001-11-20 US disclosed
EP-0996870-A1 IMPROVED DISSOLUTION INHIBITION RESISTS FOR MICROLITHOGRAPHY E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-03 EP disclosed
WO-1999004319-A1 IMPROVED DISSOLUTION INHIBITION RESISTS FOR MICROLITHOGRAPHY E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-01-28 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 CA14 4883/4885CA12 4839/4885CA1 4881/4885
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 CA14 4782/4885CA12 4482/4885CA1 4858/4885

“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.