SCHEMBL4476575

SCHEMBL4476575

c1ccc(C2CCCCC2)c(-c2ccccc2C2CCCCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.56
BCHE P06276 1/20 0.55
ACHE P22303 1/20 0.55
PTPN1 P18031 2/20 0.46
PTPRC P08575 1/20 0.46
PTPRF P10586 1/20 0.46
CDC25B P30305 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
PTPN5 P54829 2/20 0.40
PTPN2 P17706 1/20 0.40
PARP1 P09874 1/20 0.40
GPR3 P46089 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
Phosphine SCHEMBL2085257 0.98 PTGS2 (0.54) PTGS2BCHEACHEPTPN1PTPRC
SCHEMBL30767884 0.89 PTGS2 (0.57) PTGS2BCHEACHEPTPN1PTPRC
SCHEMBL13685104 0.89 PTGS2 (0.57) PTGS2BCHEACHEPTPN1PTPRC
SCHEMBL42781 0.87 PTGDR2 (0.48) PTGS2BCHEACHEPTPN1PTPRC
SCHEMBL60703 0.87 PTGS2 (0.63) PTGS2BCHEACHEPTGDR2PTPN5
SCHEMBL30407966 0.87 PTGS2 (0.63) PTGS2BCHEACHEPTGDR2PTPN5
Cyclohexane SCHEMBL9787037 0.87 PTGS2 (0.63) PTGS2BCHEACHEPTGDR2PTPN5
SCHEMBL10789751 0.84 PTGS2 (0.60) PTGS2BCHEACHEPTGDR2PTPN5
SCHEMBL29433489 0.84 PTGS2 (0.60) PTGS2BCHEACHEPTGDR2PTPN5
SCHEMBL779938 0.84 CHRNB4 (0.46) PTGS2BCHEACHEPTPN1PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115305066-B Polycyclic aromatic hydrocarbon heat conduction composition 中国石油化工股份有限公司 2024-08-30 CN claimed
CN-117487523-A Synthetic thermal conductive medium and synthetic method and system thereof 中国石油化工股份有限公司 2024-02-02 CN claimed
CN-117343697-A Thermosensitive composition and production method and system thereof 中国石油化工股份有限公司 2024-01-05 CN claimed
CN-115305066-A Polycyclic aromatic hydrocarbon heat-conducting composition 中国石油化工股份有限公司 2022-11-08 CN claimed
EP-0408995-A2 Liquid crystal medium with limited temperature-dependence of the d/p coefficient MERCK PATENT GmbH (DE) 1991-01-23 EP claimed
US-4327021-A PVC Plasticized with dicyclohexylbiphenyl and primary plasticizer SUNTECH, INC. (US) 1982-04-27 US claimed
JP-57016831-A None JP disclosed
CN-115305066-B Polycyclic aromatic hydrocarbon heat conduction composition 中国石油化工股份有限公司 2024-08-30 CN disclosed
CN-115305067-B Synthetic heat conduction oil 中国石油化工股份有限公司 2024-07-23 CN disclosed
CN-117487523-A Synthetic thermal conductive medium and synthetic method and system thereof 中国石油化工股份有限公司 2024-02-02 CN disclosed
CN-117343697-A Thermosensitive composition and production method and system thereof 中国石油化工股份有限公司 2024-01-05 CN disclosed
CN-115305066-A Polycyclic aromatic hydrocarbon heat-conducting composition 中国石油化工股份有限公司 2022-11-08 CN disclosed
CN-115305067-A Synthetic heat-conducting oil 中国石油化工股份有限公司 2022-11-08 CN disclosed
WO-1987001717-A2 SMECTIC CYSTAL PHASES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1987-03-26 WO disclosed
US-4327021-A PVC Plasticized with dicyclohexylbiphenyl and primary plasticizer SUNTECH, INC. (US) 1982-04-27 US disclosed
US-4327021-A PVC Plasticized with dicyclohexylbiphenyl and primary plasticizer SUNTECH, INC. (US) 1982-04-27 US disclosed
US-4327021-A PVC Plasticized with dicyclohexylbiphenyl and primary plasticizer SUNTECH, INC. (US) 1982-04-27 US disclosed
JP-S5716831-A PREPARATION OF BIPHENYLDICARBOXYLIC ACID TORAY IND INC 1982-01-28 JP disclosed
US-4294742-A Plasticized vinyl resins containing a linear mono C12 alkyl diphenyl compound SUN OIL COMPANY OF PENNSYLVANIA (US) 1981-10-13 US disclosed
US-4167504-A PVC plasticized with monocyclohexylbiphenyl SUN OIL COMPANY OF PENNSYLVANIA (US) 1979-09-11 US disclosed