SCHEMBL3679569

SCHEMBL3679569

C=Cc1cc(N)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
PDE10A Q9Y233 1/20 0.46
PRKCI P41743 1/20 0.42
ALDH1A1 P00352 4/20 0.42
CASP1 P29466 3/20 0.42
ALOX15 P16050 3/20 0.42
HSD17B10 Q99714 3/20 0.42
KDM4E B2RXH2 3/20 0.42
CYP3A4 P08684 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
THRB P10828 2/20 0.42
HIF1A Q16665 2/20 0.42
MEN1 O00255 1/20 0.42
TNF P01375 1/20 0.42
HSPD1 P10809 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL3686421 0.82 CASP1 (0.46) CA1CA2PDE10APRKCIALDH1A1
SCHEMBL25941241 0.78 PTPN11 (0.39) PRKCIALDH1A1CASP1HSD17B10KDM4E
SCHEMBL29954779 0.77 ERN1 (0.57) CA1CA2PDE10AALDH1A1CASP1
SCHEMBL22630789 0.77 CA1 (0.46) CA1CA2PDE10APRKCIALDH1A1
SCHEMBL27901938 0.77 PDE10A (0.52) CA1CA2PDE10APRKCIALDH1A1
SCHEMBL6380412 0.77 ERN1 (0.57) CA1CA2PDE10AALDH1A1CASP1
SCHEMBL3480852 0.76 CASP1 (0.37) ALDH1A1CASP1ALOX15HSD17B10KDM4E
SCHEMBL71628 0.76 EGFR (0.47) ALDH1A1ALOX15HSD17B10KDM4ETDP1
SCHEMBL6949410 0.76 GABRA1 (0.48) ESR2ALOX5
SCHEMBL30152425 0.76 EGFR (0.47) ALDH1A1ALOX15HSD17B10KDM4ETDP1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113698724-A SBS modified liquid crystal polymer composite material and preparation method thereof 宁夏清研高分子新材料有限公司 2021-11-26 CN disclosed
CN-113621212-A Liquid crystal polymer composite material doped with carbon nano tube and preparation method thereof 宁夏清研高分子新材料有限公司 2021-11-09 CN 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
CN-101137345-B Novel hair coloring compositions for oxidative hair dyeing PROCTER & GAMBLE 2012-10-31 CN 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 CA1 4881/4885CA2 4289/4885PDE10A 4745/4885
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 CA1 4858/4885CA2 3093/4885PDE10A 4776/4885

“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.