SCHEMBL3304087

SCHEMBL3304087

Cc1ccc(Cc2ccccc2)cc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.55
IDH1 O75874 1/20 0.52
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
LTA4H P09960 1/20 0.48
LMNA P02545 2/20 0.45
HNF4A P41235 1/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
NQO1 P15559 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HIF1A Q16665 1/20 0.43
PSMB8 P28062 2/20 0.42
PSMB5 P28074 2/20 0.42
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
HTT P42858 1/20 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
SCHEMBL30876036 0.88 ESR1 (0.61) ESR1ESR2LMNACYP3A4CYP2C19
SCHEMBL31371688 0.88 ESR1 (0.61) ESR1ESR2LMNACYP3A4CYP2C19
SCHEMBL311076 0.88 ESR1 (0.61) ESR1ESR2LMNACYP3A4CYP2C19
SCHEMBL20345259 0.84 ESR1 (0.52) ESR1ESR2LTA4HCYP3A4CYP2C19
SCHEMBL29675199 0.83 CALM1 (0.50) CALM1IDH1ESR1ESR2LTA4H
SCHEMBL146770 0.83 CALM1 (0.50) CALM1IDH1ESR1ESR2LTA4H
SCHEMBL4455072 0.83 CALM1 (0.50) CALM1IDH1ESR1ESR2LTA4H
SCHEMBL29675106 0.83 CALM1 (0.50) CALM1IDH1ESR1ESR2LTA4H
SCHEMBL2551561 0.82 MAOA (0.48) CYP3A4CYP2C19CYP1A2CYP2D6
SCHEMBL23428853 0.81 CALM1 (0.48) CALM1IDH1ESR1ESR2LTA4H

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
US-8492384-B2 Imidazolylalkylcarbonyl derivatives as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-07-23 US claimed
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-12-31 US claimed
US-4460384-A Process for separating carbon monoxide from a gas mixture NIPPON STEEL CORPORATION (JP) 1984-07-17 US claimed
JP-4211619-A None JP disclosed
CN-112851608-B Catalytic oxidation synthesis method of 2-diaryl methyl benzofuran compound 浙江工业大学 2022-07-15 CN disclosed
CN-113943199-A Method for synthesizing amide compound by taking nitrile and diarylmethane as raw materials 浙江工业大学 2022-01-18 CN disclosed
CN-107109090-B Ink composition and photoelectric conversion element produced using same 住友化学株式会社 2021-10-08 CN disclosed
CN-112851608-A Catalytic oxidation synthesis method of 2-diaryl methyl benzofuran compound 浙江工业大学 2021-05-28 CN disclosed
WO-2017100668-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2017-06-15 WO disclosed
US-20150004484-A1 ORGANIC ELECTROLYTE AND ORGANIC ELECTROLYTE STORAGE BATTERY JX NIPPON OIL & ENERGY CORPORATION (JP) 2015-01-01 US disclosed
EP-2797154-A1 ORGANIC ELECTROLYTE, AND ORGANIC ELECTROLYTE STORAGE BATTERY JX Nippon Oil & Energy Corporation (JP) 2014-10-29 EP disclosed
EP-2797153-A1 ORGANIC ELECTROLYTE, AND ORGANIC ELECTROLYTE STORAGE BATTERY JX Nippon Oil & Energy Corporation (JP) 2014-10-29 EP disclosed
US-8492384-B2 Imidazolylalkylcarbonyl derivatives as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-07-23 US disclosed
EP-2540163-A1 Nematocide N-cyclopropyl-sulfonylamide derivatives Bayer CropScience AG (DE) 2013-01-02 EP disclosed
US-8299072-B2 Pyrazolylmethylamine compounds as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-10-30 US disclosed
US-20100094006-A1 NOVEL PYRAZOLYLMETHYLAMINE COMPOUNDS AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-04-15 US disclosed
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-12-31 US disclosed
JP-H04211619-A DIELECTRIC COMPOSITION COMPRISING BENZYLTOLUENE AND (METHYLBENZYL)XYLENE AS PRINCIPAL COMPONENTS SOC ATOCHEM 1992-08-03 JP disclosed
US-4460384-A Process for separating carbon monoxide from a gas mixture NIPPON STEEL CORPORATION (JP) 1984-07-17 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-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1B, CACNA1C, ORAI1 CALM1 143/4885IDH1 2288/4885ESR1 4432/4885
US-20100094006-A1 NOVEL PYRAZOLYLMETHYLAMINE COMPOUNDS AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1I, CACNA1C, ORAI1 CALM1 133/4885IDH1 3535/4885ESR1 4287/4885

“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.