SCHEMBL3301748

SCHEMBL3301748

Cc1ccc(Cc2ccccc2)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
BCL2 P10415 1/20 0.47
BCL2L1 Q07817 1/20 0.47
ALOX5 P09917 1/20 0.46
RAB9A P51151 2/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 1/20 0.45
PSMB8 P28062 1/20 0.44
PSMB5 P28074 1/20 0.44
CALM1 P0DP23 1/20 0.44
LDHA P00338 1/20 0.43
LDHB P07195 1/20 0.43
CTRC Q99895 1/20 0.42
TNF P01375 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
SCHEMBL4624112 0.87 PYCR1 (0.42) CYP3A4CYP2D6TSHRCYP2C19RAB9A
SCHEMBL4442750 0.85 BCL2 (0.54) CYP3A4CYP2D6TSHRCYP2C19BCL2
SCHEMBL11323610 0.85 TAAR1 (0.43) CYP3A4CYP2D6TSHRCYP2C19RAB9A
SCHEMBL8085589 0.83 LTA4H (0.44) CYP3A4CYP2D6TSHRCYP2C19RAB9A
SCHEMBL29675199 0.83 CALM1 (0.50) BCL2BCL2L1ALOX5LMNACALM1
SCHEMBL4455072 0.83 CALM1 (0.50) BCL2BCL2L1ALOX5LMNACALM1
SCHEMBL1276089 0.83 CYP3A4 (0.57) CYP3A4CYP2D6TSHRCYP2C19BCL2
SCHEMBL8092285 0.82 BCL2 (0.54) CYP3A4CYP2D6TSHRCYP2C19BCL2
SCHEMBL3299248 0.82 PYCR1 (0.47) RAB9ALMNAHTTSMN1; SMN2NPC1
SCHEMBL115910 0.82 RAB9A (0.45) CYP3A4CYP2D6TSHRCYP2C19RAB9A

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 89 patents — showing the first 20. 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
EP-0428081-B1 Method for producing diarylmethanes KUREHA CHEMICAL IND CO LTD (JP) 1994-05-04 EP claimed
EP-0192492-B1 PEPTIDES CONTAINING AN ALIPHATIC-AROMATIC KETONE SIDE CHAIN THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1992-01-02 EP claimed
US-5068481-A Reaction of benzyl chloride with benzene or alkylbenzene in the presence of a zeolite catalyst KUREHA KAGAKU KOGYO K.K. (JP) 1991-11-26 US claimed
EP-0428081-A1 Method for producing diarylmethanes KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-05-22 EP claimed
US-4390194-A DYE-PRECURSOR IN SOLVENT MIXTURE OF 1-METHYL-3-PHENYLINDANE AND A DIARYLALKANE NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1983-06-28 US claimed
JP-57144235-A None JP disclosed
US-20220145161-A1 GREEN COMPOSITIONS FOR USE IN DOWNHOLE AND INDUSTRIAL APPLICATIONS DELTA-ENERGY GROUP, LLC (US) 2022-05-12 US disclosed
CN-112088200-A Use of mixtures as dielectric fluids 阿科玛法国公司 2020-12-15 CN disclosed
CN-108017557-B Cyanidation method for preparing nitrile compound 中国科学院兰州化学物理研究所苏州研究院 2020-11-24 CN disclosed
US-20150004484-A1 ORGANIC ELECTROLYTE AND ORGANIC ELECTROLYTE STORAGE BATTERY JX NIPPON OIL & ENERGY CORPORATION (JP) 2015-01-01 US disclosed
EP-2797153-A1 ORGANIC ELECTROLYTE, AND ORGANIC ELECTROLYTE STORAGE BATTERY JX Nippon Oil & Energy Corporation (JP) 2014-10-29 EP disclosed
US-4342739-A ANTIGEN OR ANTIBODY BOUND MICROCAPSULES FUJI PHOTO FILM CO., LTD. (JP) 1982-08-03 US disclosed
EP-0047998-A1 Electrically insulating oil composition Nippon Petrochemicals Co., Ltd. (JP) 1982-03-24 EP disclosed
US-4289806-A DYE DISSOLVED IN SOLVENT OF AROMATIC HYDROCARBONS HAVING TWO OR THREE NON-CONDENSED BENZENE RINGS NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1981-09-15 US disclosed
EP-0019363-A1 Preparation of diphenylmethane derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-11-26 EP disclosed
US-4221710-A PRESSURE SENSITIVE RECORDING SHEET FUJI PHOTO FILM CO., LTD. (JP) 1980-09-09 US disclosed
US-4219604-A UREA-FORMALDEHYDE RESIN, CARBOXYLATED POLYVINYL ALCOHOL, HEAT RESISTANT AND NONPERMEABLE FUJI PHOTO FILM CO., LTD. (JP) 1980-08-26 US disclosed
US-4197417-A Process for the manufacture of o-benzyl toluenes IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-04-08 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 (1 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 CYP3A4 2679/4885CYP2D6 3257/4885TSHR 3065/4885

“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.