SCHEMBL3100368

SCHEMBL3100368

C=CCC1CCc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.55
HTR6 P50406 1/20 0.50
PRCP P42785 2/20 0.45
SIGMAR1 Q99720 2/20 0.44
CYP11B2 P19099 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
IDO1 P14902 2/20 0.42
PDPK1 O15530 1/20 0.42

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
SCHEMBL5613177 0.89 HTR1A (0.49) HTR1APRCPSIGMAR1IDO1
SCHEMBL833049 0.81 HTR6 (0.50) HTR1AHTR6CYP11B2MTNR1AMTNR1B
SCHEMBL28240190 0.81 PRCP (0.47) HTR1APRCPSIGMAR1MTNR1AMTNR1B
SCHEMBL31355114 0.80 HTR6 (0.49) HTR1AHTR6CYP11B2MTNR1AMTNR1B
SCHEMBL31355113 0.80 HTR6 (0.49) HTR1AHTR6CYP11B2MTNR1AMTNR1B
SCHEMBL1567192 0.79 HTR6 (0.54) HTR1AHTR6CYP11B2MTNR1AMTNR1B
SCHEMBL7677975 0.78 HTR6 (0.44) HTR1AHTR6PRCPSIGMAR1MTNR1A
SCHEMBL9281773 0.77 HTR1A (0.62) HTR1APRCPSIGMAR1IDO1PDPK1
SCHEMBL27488330 0.76 HTR6 (0.56) HTR1AHTR6CYP11B2MTNR1AMTNR1B
SCHEMBL2221386 0.76 HTR1A (0.50) HTR1APRCPSIGMAR1PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114720596-B Separation method of crude oil components rich in aromatic hydrocarbon 中国科学院兰州化学物理研究所 2023-01-10 CN claimed
CN-113087585-B Method for producing paraxylene and ethylbenzene from mixed C8 aromatic hydrocarbons 中国石化工程建设有限公司 2023-01-06 CN claimed
CN-113087585-A Method for producing paraxylene and ethylbenzene from mixed C8 aromatic hydrocarbons 中国石化工程建设有限公司 2021-07-09 CN claimed
CN-102282240-B Fuel composition for gasoline engine SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2014-10-29 CN claimed
US-5444172-A Alkenylating a side chaing of aromatic hydrocarbon containing atleast one hydrogen atom bonded at alpha position of side chain with conjugated diene in presence of an alkylation catalyst MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1995-08-22 US claimed
US-5436381-A Alkenylation a side chain of alkylaromatic compounds with basic catalysts MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1995-07-25 US claimed
US-5087785-A Processes for preparing alkylated indanes and tetrahydronaphthalenes UNION CAMP CORPORATION (US) 1992-02-11 US claimed
EP-0000617-B1 PRODUCTION OF UNSUBSTITUTED AND SUBSTITUTED INDENE. THE STANDARD OIL COMPANY (US) 1981-08-12 EP claimed
EP-0000617-A1 Production of unsubstituted and substituted indene. THE STANDARD OIL COMPANY (US) 1979-02-07 EP claimed
JP-52057157-A None JP disclosed
CN-117510298-A Indane ring biphenyl liquid crystal composition and application thereof 武汉轻工大学 2024-02-06 CN disclosed
CN-113087585-B Method for producing paraxylene and ethylbenzene from mixed C8 aromatic hydrocarbons 中国石化工程建设有限公司 2023-01-06 CN disclosed
CN-113087585-A Method for producing paraxylene and ethylbenzene from mixed C8 aromatic hydrocarbons 中国石化工程建设有限公司 2021-07-09 CN disclosed
EP-2690157-B1 METHOD FOR PRODUCING MONOCYCLIC AROMATIC HYDROCARBON JX NIPPON OIL & ENERGY CORP (JP) 2019-01-23 EP disclosed
US-5292720-A Formate ester indane compounds UNION CAMP CORPORATION (US) 1994-03-08 US disclosed
US-5087785-A Processes for preparing alkylated indanes and tetrahydronaphthalenes UNION CAMP CORPORATION (US) 1992-02-11 US disclosed
US-5087785-A Processes for preparing alkylated indanes and tetrahydronaphthalenes UNION CAMP CORPORATION (US) 1992-02-11 US disclosed
JP-S5257157-A PRODUCTION OF 22 ALKYL INDANE HEXACHIMIE 1977-05-11 JP disclosed
US-3979327-A PARTIALLY HYDROGENATED TERPHENYL MONSANTO COMPANY (US) 1976-09-07 US disclosed
US-3979324-A BENZYLNAPHTHALENE COMPOUND MONSANTO COMPANY (US) 1976-09-07 US disclosed