SCHEMBL4170184

SCHEMBL4170184

C(#Cc1ccco1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.55
NPC1 O15118 4/20 0.47
RAB9A P51151 3/20 0.47
HSP90AA1 P07900 1/20 0.47
AGTR1 P30556 1/20 0.47
PAX8 Q06710 1/20 0.47
TLR9 Q9NR96 1/20 0.47
MAPT P10636 2/20 0.43
GRM5 P41594 5/20 0.41
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
MEN1 O00255 2/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL1799185 0.85 ALOX5 (0.43) NPC1RAB9AHSP90AA1AGTR1PAX8
SCHEMBL3079350 0.79 RAB9A (0.40) APPNPC1RAB9AHSP90AA1AGTR1
SCHEMBL8026472 0.77 RARB (0.46) RAB9AMAPTKDM4ECYP1A2CYP2C9
SCHEMBL5517928 0.75 ALOX5 (0.44) NPC1RAB9AHSP90AA1AGTR1PAX8
Diphenylacetylene SCHEMBL29188592 0.74 APP (1.00) APPNPC1RAB9AMAPTGRM5
Diphenylacetylene SCHEMBL960609 0.74 APP (1.00) APPNPC1RAB9AMAPTGRM5
Diphenylacetylene SCHEMBL68254 0.74 APP (1.00) APPNPC1RAB9AMAPTGRM5
SCHEMBL18752322 0.72 SMN1; SMN2 (0.36) NPC1RAB9AGRM5KDM4EALDH1A1
SCHEMBL11272511 0.72 RAB9A (0.40) NPC1RAB9AHSP90AA1AGTR1PAX8
SCHEMBL1048506 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651621-B1 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2008-08-06 EP claimed
CN-117466695-A Cobalt-catalyzed alkyne synthesis method 合肥工业大学 2024-01-30 CN disclosed
US-20150340612-A1 UV EMITTERS COMPRISING A MULTIPLE BOND MERCK PATENT GMBH (DE) 2015-11-26 US disclosed
US-20150340612-A1 UV EMITTERS COMPRISING A MULTIPLE BOND MERCK PATENT GMBH (DE) 2015-11-26 US disclosed
CN-103254065-B 2,4,4',6-tetracarboxylic acid biphenyl silver complex and preparation method and application thereof UNIV LUOYANG NORMAL 2014-11-26 CN disclosed
WO-2014106520-A1 UV EMITTERS COMPRISING A MULTIPLE BOND MERCK PATENT GMBH (DE) 2014-07-10 WO disclosed
CN-103254065-A 2,3,4',6-tetracarboxylic acid biphenyl silver complex and preparation method and application thereof UNIV LUOYANG NORMAL 2013-08-21 CN disclosed
EP-1296972-B1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMA INC (US) 2009-12-23 EP disclosed
US-20090233962-A1 Amide derivative and insecticide containing the same MITSUI CHEMICALS, INC. (JP) 2009-09-17 US disclosed
US-7105707-B2 Process for preparing alkynyl-substituted aromatic and heterocyclic compounds PHARMACORE, INC. (US) 2006-09-12 US disclosed
US-6977263-B2 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-12-20 US disclosed
US-20050228018-A1 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-10-13 US disclosed
US-20050137402-A1 Process for preparing alkynyl-substituted aromatic and heterocyclic compounds DSM N.V. (NL) 2005-06-23 US disclosed
US-20030187020-A1 Chemical compounds AVENTISUB LLC 2003-10-02 US disclosed
EP-1296972-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2003-04-02 EP disclosed
WO-2001090101-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2001-11-29 WO disclosed
US-5374701-A Crosslinkable polymers of high strength free of structural defects HAY ALLAN S (CA) 1994-12-20 US disclosed
US-5233046-A DIARYLACETYLENES, ENAMINES AND ACETYLENIC POLYMERS AND THEIR PRODUCTION HAY ALLAN S (CA) 1993-08-03 US disclosed
WO-1993009079-A1 DIARYLACETYLENES, ENAMINES AND ACETYLENIC POLYMERS AND THEIR PRODUCTION HAY ALAN S (CA) 1993-05-13 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 (4 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-20050228018-A1 Chemical compounds CMA1, TPSB2, TPSG1 APP 614/4885NPC1 806/4885RAB9A 1607/4885
US-20090233962-A1 Amide derivative and insecticide containing the same CYP1A1, CYP4B1, CYP2E1 APP 900/4885NPC1 2896/4885RAB9A 1871/4885
US-20050137402-A1 Process for preparing alkynyl-substituted aromatic and heterocyclic compounds NAT1, B3GNT2, NISCH APP 1495/4885NPC1 1680/4885RAB9A 2413/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 APP 614/4885NPC1 806/4885RAB9A 1607/4885

“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.