SCHEMBL105975

SCHEMBL105975

C/C=C/CCc1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
CYP2A6 P11509 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
GPR52 Q9Y2T5 3/20 0.46
AGXT P21549 2/20 0.41
IDO1 P14902 1/20 0.41
HRH3 Q9Y5N1 1/20 0.39
KCNH2 Q12809 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
FFAR1 O14842 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
IGF1R P08069 1/20 0.38
ALOX15 P16050 1/20 0.38
SLC5A1 P13866 1/20 0.37
SLC5A2 P31639 1/20 0.37
ACHE P22303 1/20 0.36
CHKA P35790 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36

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
P-Xylene SCHEMBL11767119 1.00 CYP1A2 (0.48) CYP1A2CYP2A6TAAR1GPR52AGXT
SCHEMBL713023 1.00 CYP1A2 (0.48) CYP1A2CYP2A6TAAR1GPR52AGXT
SCHEMBL21901329 0.94 CYP1A2 (0.43) CYP1A2CYP2A6TAAR1GPR52AGXT
SCHEMBL19326441 0.94 CYP1A2 (0.43) CYP1A2CYP2A6TAAR1GPR52AGXT
SCHEMBL7789194 0.86 NPC1 (0.57) CYP1A2CYP2A6TAAR1GPR52TDP1
SCHEMBL7789197 0.86 NPC1 (0.57) CYP1A2CYP2A6TAAR1GPR52TDP1
SCHEMBL7789198 0.86 NPC1 (0.57) CYP1A2CYP2A6TAAR1GPR52TDP1
SCHEMBL9010941 0.86 TAAR1 (0.49) CYP1A2CYP2A6TAAR1GPR52IDO1
SCHEMBL6269400 0.85 IGF1R (0.47) CYP1A2CYP2A6TAAR1AGXTIDO1
SCHEMBL9010942 0.84 TAAR1 (0.46) CYP1A2CYP2A6TAAR1GPR52AGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124825-B2 Method of purifying 2,7-dimethylnaphthalene MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2012-02-28 US claimed
EP-2195440-A2 BIOFUEL PRODUCTION Bio Architecture Lab, Inc. (US) 2010-06-16 EP claimed
US-20100113853-A1 Method of Purifying 2,7-Dimethylnaphthalene MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2010-05-06 US claimed
EP-1873133-B1 METHOD OF PURIFYING 2,7-DIMETHYLNAPHTHALENE MITSUBISHI GAS CHEMICAL CO (JP) 2009-12-02 EP claimed
WO-2009046375-A2 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-04-09 WO claimed
WO-2009046370-A2 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-04-09 WO claimed
EP-1873133-A1 METHOD OF PURIFYING 2,7-DIMETHYLNAPHTHALENE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2008-01-02 EP claimed
EP-0554704-B1 Process for producing dimethyl naphthalene MITSUBISHI GAS CHEMICAL CO (JP) 1996-11-13 EP claimed
US-5446226-A Catalytic cyclizing, dehydrogenating 5-tolylpent-2-ene MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1995-08-29 US claimed
EP-0554704-A2 Process for producing dimethyl naphthalene MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1993-08-11 EP claimed
EP-3230463-A1 RAPID PRETREATMENT Sweetwater Energy, Inc. (US) 2017-10-18 EP disclosed
WO-2016094594-A1 RAPID PRETREATMENT SWEETWATER ENERGY, INC. (US) 2016-06-16 WO disclosed
WO-2013115959-A1 METHODS AND COMPOSITIONS FOR GROWTH OF YEAST ON ALGINATE BIO ARCHITECTURE LAB, INC. (US) 2013-08-08 WO disclosed
EP-2424982-A1 ADAPTING MICROORGANISMS FOR AGRICULTURAL PRODUCTS De Crecy, Eudes (US) 2012-03-07 EP disclosed
EP-2421984-A1 COMPOSITIONS AND METHODS FOR FERMENTATION OF BIOMASS Qteros, Inc. (US) 2012-02-29 EP disclosed
EP-0351074-A1 Preparation of a dimethyltetralin AMOCO CORPORATION (US) 1990-01-17 EP disclosed
WO-1989012612-A1 PREPARATION OF A DIMETHYLTETRALIN AMOCO CORPORATION (US) 1989-12-28 WO disclosed
US-4740647-A COPPER ALUMINUM BORATE TO CATALYZE DEHYDROCYCLIZATION OF ALKENYL AROMATIC COMPOUND AMOCO CORPORATION (US) 1988-04-26 US disclosed
US-3997616-A FROM ALKENYLBENZENE, CYCLIZATION CATALYST TEIJIN LIMITED (JA) 1976-12-14 US disclosed
US-3931348-A RHENIUM OXIDE CYCLIZATION DEHYDROGENATION CATALYST MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JA) 1976-01-06 US disclosed