SCHEMBL42781

SCHEMBL42781

c1ccc(C2CCCCC2)c(C2CCCCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.48
PTGS2 P35354 1/20 0.47
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CEL P19835 1/20 0.42
HTR2C P28335 2/20 0.41
CYP11B2 P19099 1/20 0.41
NOS1 P29475 1/20 0.41
PTPRC P08575 1/20 0.41
PTPRF P10586 1/20 0.41
PTPN1 P18031 1/20 0.41
CDC25B P30305 1/20 0.41
TDO2 P48775 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
PRCP P42785 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 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
SCHEMBL779938 0.97 CHRNB4 (0.46) PTGDR2PTGS2BCHEACHECHRNB4
Hydrogen Peroxide SCHEMBL3679819 0.95 PTGDR2 (0.55) PTGDR2PTGS2BCHEACHECHRNB4
Hydrogen Peroxide SCHEMBL11398422 0.95 PTGDR2 (0.55) PTGDR2PTGS2BCHEACHECHRNB4
SCHEMBL28904978 0.92 PTGDR2 (0.44) PTGDR2PTGS2BCHEACHECHRNB4
SCHEMBL11704954 0.89 CHRNB4 (0.52) PTGDR2PTGS2BCHEACHECHRNB4
SCHEMBL11701290 0.89 CHRNB4 (0.52) PTGDR2PTGS2BCHEACHECHRNB4
SCHEMBL2913620 0.88 CHRNB4 (0.44) PTGDR2PTGS2CHRNB4CHRNA3HTR2C
SCHEMBL4476575 0.87 PTGS2 (0.56) PTGDR2PTGS2BCHEACHEPTPRC
SCHEMBL11704162 0.86 CHRNB4 (0.54) PTGDR2PTGS2BCHEACHECHRNB4
Phosphine SCHEMBL2085257 0.85 PTGS2 (0.54) PTGDR2PTGS2BCHEACHEPTPRC

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 1506 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120059683-A Synthetic heat conduction oil and application 中国石油化工股份有限公司 2025-05-30 CN claimed
CN-119899076-A Process for producing cyclohexene 中国石油化工股份有限公司 2025-04-29 CN claimed
CN-119707620-A Production method of cyclohexylbenzene 中国石油化工股份有限公司 2025-03-28 CN claimed
CN-119215789-A Organic hydride dehydrogenation reaction systems and methods 中国石油化工股份有限公司 2024-12-31 CN claimed
CN-115305065-B Synthetic high-temperature heat carrier 中国石油化工股份有限公司 2024-11-29 CN claimed
CN-118879339-A Wide-temperature-range liquid crystal material and preparation method and application thereof 北京大学 2024-11-01 CN claimed
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-115305067-B Synthetic heat conduction oil 中国石油化工股份有限公司 2024-07-23 CN claimed
CN-112221521-B Catalyst, preparation method thereof and method for preparing cyclohexylbenzene 中国石油化工股份有限公司 2024-05-17 CN claimed
CN-117985652-A Organic hydride dehydrogenation reaction systems and methods 中国石油化工股份有限公司 2024-05-07 CN claimed
CN-1190864-C Non-aqueous electrolyte secondary cell and device using the same MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 2005-02-23 CN claimed
CN-1497036-A Processing method for reusing liquid crystal material 大日本油墨化学工业株式会社 2004-05-19 CN claimed
US-6489529-B1 TRANSALKYLATING POLYCYCLOALKYL AROMATIC COMPOUND WITH BENZENE TO FORM MONOCYCLOALKYL AROMATIC COMPOUND, USING ACIDIC SOLID CATALYST COMPRISING GROUP IVB OXIDE MODIFIED WITH OXYANION OF GROUP VIB OXIDE, TEA-MORDENITE, OR ZEOLITE BETA EXXONMOBIL OIL CORPORATION 2002-12-03 US claimed
CN-1349672-A Non-aqueous electrolyte secondary cell and device using the same MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 2002-05-15 CN claimed
WO-2001053237-A2 PRODUCTION OF MONOCYCLOALKYL AROMATIC COMPOUNDS MOBIL OIL CORPORATION (US) 2001-07-26 WO claimed
EP-0546419-B1 Heat transfer liquid and its preparation BAYER AG (DE) 1996-02-28 EP claimed
US-5384059-A Cyclohexylbiphenyls, dicyclohexylbenzenes, phenylbicyclohexyls, tercyclohexyls BAYER AKTIENGESELLSCHAFT (DE) 1995-01-24 US claimed
EP-0164417-B1 THERMAL RECORDING MATERIAL NIPPON STEEL CHEMICAL CO., LTD. (JP) 1989-03-15 EP claimed
US-3984490-A Phenylcyclohexane formed by cracking dicyclohexylbenzene THE UPJOHN COMPANY (US) 1976-10-05 US claimed
US-3962362-A HYDROALKYLATION, DEHYDROGENATION TEXACO DEVELOPMENT CORPORATION (US) 1976-06-08 US claimed