SCHEMBL459934

SCHEMBL459934

COc1ccc(-c2[c]ccc(OC)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
EGFR P00533 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CASP3 P42574 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
TP53 P04637 2/20 0.42
MAPK1 P28482 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
ESR2 Q92731 1/20 0.42
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
MAOB P27338 2/20 0.41

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
SCHEMBL5622659 0.89 ACHE (0.45) EGFRNPC1RAB9ASMN1; SMN2CASP3
SCHEMBL3262111 0.87 ESR2 (0.52) NPC1RAB9ASMN1; SMN2CASP3SENP7
SCHEMBL11205461 0.87 APP (0.39) CA12CA1CA2CA7CA9
SCHEMBL5322041 0.87 MAOB (0.42) CA12CA1CA2CA7CA9
SCHEMBL4468568 0.87 MEN1 (0.40) RAB9ASMN1; SMN2TP53MAPK1HSD17B1
SCHEMBL6841236 0.87 MEN1 (0.38) CA1CA2NPC1RAB9ASMN1; SMN2
SCHEMBL10918406 0.87 CYP11B1 (0.44) NPC1RAB9ASMN1; SMN2ABL1ABCB1
SCHEMBL8327622 0.87 MAOB (0.43) NPC1RAB9ATP53MAOBAPP
SCHEMBL7033071 0.86 CA4 (0.43) NPC1RAB9ASMN1; SMN2TP53ABCB1
SCHEMBL28095381 0.86 ABL1 (0.47) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2336144-B1 ESTERIFIED ALPHA-GALACTOSYLCERAMIDE RIKEN (JP) 2015-01-21 EP disclosed
EP-2780326-A1 METHOD FOR INHIBITION OF DEUBIQUITINATING ACTIVITY Vivolux Ab (SE) 2014-09-24 EP disclosed
US-8580751-B2 Esterified α-galactosylceramide RIKEN (JP) 2013-11-12 US disclosed
WO-2013058691-A1 METHOD FOR INHIBITION OF DEUBIQUITINATING ACTIVITY VIVOLUX AB (SE) 2013-04-25 WO disclosed
US-20110224158-A1 ESTERIFIED ALPHA-GALACTOSYLCERAMIDE RIKEN (JP) 2011-09-15 US disclosed
EP-2344453-A2 ACTIVATORS OF HUMAN PYRUVATE KINASE The U.S.A. As Represented By The Secretary, Department Of Health And Human Services (US) 2011-07-20 EP disclosed
EP-2336144-A1 ESTERIFIED ALPHA-GALACTOSYLCERAMIDE Riken (JP) 2011-06-22 EP disclosed
US-20110046397-A1 NEW PROCESSES NOVARTIS PHARMACEUTICALS CORPORATION 2011-02-24 US disclosed
CN-101768042-A Method for preparing polysubstituted indene skeleton derivative UNIV FUDAN 2010-07-07 CN disclosed
WO-2010042867-A2 ACTIVATORS OF HUMAN PYRUVATE KINASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-04-15 WO disclosed
EP-1370528-B1 MCH ANTAGONISTS AND THEIR USE IN THE TREATMENT OF OBESITY SCHERING CORP (US) 2005-06-08 EP disclosed
US-5749925-A Dyeing or printing process with new and known cationic 4,5-dihydro-iH-1,2,3-triazolium compounds as dyestuffs and new cationic 4,5-dihydro-1H-1,2,3-triazolium compounds BAYER AKTIENGESELLSCHAFT (DE) 1998-05-12 US disclosed
US-5573909-A DETECTING MULTIPLE DIFFERENT TARGET SPECIFIC BINDING PAIR MEMBER IN SAMPLE BY USING PROBES COMPRISING POLYMERIC MICROPARTICLE CONTAINING DISPERSED SERIES OF FLUORESCENT DYES, AND COMPLEMENTARY SPECIFIC BINDING PAIR MEMBER MOLECULAR PROBES, INC. (US) 1996-11-12 US disclosed
US-5134150-A Administering diaryl-substituted imidazothiazoles; antiarthritic agents SMITHKLINE BEECHAM CORPORATION (US) 1992-07-28 US disclosed
US-4686231-A 4,5-DIARYL-2-SUBSTITUTED-IMIDAZOLE SMITHKLINE BECKMAN CORPORATION (US) 1987-08-11 US disclosed
US-4110460-A ANTIINFLAMMATORY, ANALGESIC METABIO (FR) 1978-08-29 US 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-20110046397-A1 NEW PROCESSES MME, REN, AGTR1 CA12 4102/4885CA1 2624/4885CA2 859/4885
US-20110224158-A1 ESTERIFIED ALPHA-GALACTOSYLCERAMIDE GBA1, UGCG, MAN2B1 CA12 85/4885CA1 207/4885CA2 185/4885

“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.