SCHEMBL246786

SCHEMBL246786

Clc1[c]ccc(-c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
ESR2 Q92731 2/20 0.42
ALDH1A1 P00352 5/20 0.41
MAOA P21397 1/20 0.38
ALOX5 P09917 1/20 0.37
MEN1 O00255 2/20 0.35
HPGD P15428 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ACMSD Q8TDX5 2/20 0.35
DHFR P00374 1/20 0.35
HNF4A P41235 1/20 0.35
MCL1 Q07820 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2A6 P11509 2/20 0.34
MGLL Q99685 2/20 0.34
HSP90AA1 P07900 2/20 0.34
HTT P42858 2/20 0.34

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
SCHEMBL27486807 0.98 CYP1A2 (0.41) CYP1A2ESR2ALDH1A1MAOAALOX5
SCHEMBL5584076 0.88 AHR (0.35)
SCHEMBL6806233 0.84
SCHEMBL7700570 0.83 GSTP1 (0.44) MAOAMEN1KMT2ASMN1; SMN2MCL1
SCHEMBL3139514 0.83 ALOX5 (0.47) ESR2ALOX5SMN1; SMN2KDM4ENOTUM
SCHEMBL435265 0.82 ALOX5 (0.45) CYP1A2ALDH1A1ALOX5MCL1CYP2A6
SCHEMBL2429100 0.79 TAAR1 (0.46) ESR2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL2430752 0.78 TXN (0.34) ESR2SMN1; SMN2HSD17B10
SCHEMBL9667405 0.78 MAPK1 (0.39) CYP1A2ALDH1A1MEN1KMT2AMCL1
SCHEMBL15287226 0.78 AHR (0.31)

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 134 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111574564-A Fluoroalkyl-substituted furyl diphosphine oxygen compound and preparation method thereof 南京工业大学 2020-08-25 CN claimed
CN-111560038-A Fluoroalkyl-substituted furyl monophosphine oxide compound and preparation method thereof 南京工业大学 2020-08-21 CN claimed
US-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis INSERM (INSTITUT NATIONAL DE LA SANTÉ ET DE KA RECHERCHE MÉDICALE (FR) 2018-09-18 US claimed
CN-105611930-A Spiro-quinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MUNCHEN-DEUTSCHES FORSCHUNGSZENTRUM FUR GESUNDHEIT UND UMWELT (GMBH) 2016-05-25 CN claimed
EP-2421825-B9 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-20 EP claimed
US-8691805-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-04-08 US claimed
EP-2421825-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-01-01 EP claimed
US-8604017-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-12-10 US claimed
US-20130244997-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-09-19 US claimed
US-8455476-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-06-04 US claimed
WO-2010029001-A1 TRIAZOLE COMPOUNDS, USE THEREOF, AND AGENTS CONTAINING SAME BASF SE (DE) 2010-03-18 WO claimed
US-20100004221-A1 THIAZEPINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-01-07 US claimed
EP-2119719-A1 THIAZEPINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-11-18 EP claimed
US-20090247515-A1 11 Beta-HSD1 Modulators EXELIXIS, INC. (US) 2009-10-01 US claimed
WO-2009114173-A1 AZABICYCLO [3. 2. I] OCTYL DERIVATIVES AS 11 BETA-HSDL MODULATORS EXELIXIS, INC. (US) 2009-09-17 WO claimed
WO-2007135529-A2 AZABENZIMIDAZOLYL COMPOUNDS AS MGLUR2 POTENTIATORS PFIZER PRODUCTS INC. (US) 2007-11-29 WO claimed
WO-2007135527-A2 BENZIMIDAZOLYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-29 WO claimed
EP-0940391-A2 Quinoline derivatives as tachykinin NK3 receptor antagonists Smithkline Beecham Farmaceutici S.p.A. (IT) 1999-09-08 EP claimed
EP-0414299-B1 Biocidal azoxime compounds SHELL INT RESEARCH (NL) 1994-06-15 EP claimed
US-4851519-A AMIDO NUCLEOSIDES, VIRICIDES HOFFMANN-LA ROCHE INC. (US) 1989-07-25 US claimed

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-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis LIPA, MGLL, PNLIP CYP1A2 878/4885ESR2 3639/4885ALDH1A1 779/4885
US-20100004221-A1 THIAZEPINE DERIVATIVE HSD11B1, HSD17B1, HSD3B1 CYP1A2 104/4885ESR2 1175/4885ALDH1A1 28/4885
US-20130244997-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA CYP1A2 544/4885ESR2 2261/4885ALDH1A1 364/4885
US-20090247515-A1 11 Beta-HSD1 Modulators HSD11B1, HSD11B2, HSD3B1 CYP1A2 96/4885ESR2 570/4885ALDH1A1 68/4885

“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.