SCHEMBL588459

SCHEMBL588459

Cc1cccc2cccc(C)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
CYP1A2 P05177 7/20 0.53
HSD17B10 Q99714 5/20 0.53
TSHR P16473 4/20 0.53
HPGD P15428 4/20 0.53
CYP3A4 P08684 2/20 0.53
CYP1A1 P04798 1/20 0.53
CYP1B1 Q16678 1/20 0.53
CYP2A6 P11509 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
ACHE P22303 1/20 0.47
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL29353343 1.00 ALDH1A1 (0.53) ALDH1A1CYP1A2HSD17B10TSHRHPGD
Water SCHEMBL27859761 0.94 CYP1A2 (0.48) ALDH1A1CYP1A2HSD17B10TSHRHPGD
Formaldehyde SCHEMBL28821851 0.91 CYP1A2 (0.52) ALDH1A1CYP1A2HSD17B10TSHRHPGD
SCHEMBL4647758 0.90 CYP1A2 (0.59) ALDH1A1CYP1A2HSD17B10TSHRHPGD
SCHEMBL5950773 0.83 ALDH1A1 (0.56) ALDH1A1CYP1A2HSD17B10TSHRHPGD
SCHEMBL5403909 0.81 ALDH1A1 (0.52) ALDH1A1CYP1A2HSD17B10TSHRHPGD
SCHEMBL1402535 0.81 ALDH1A1 (0.43) ALDH1A1CYP1A2HSD17B10TSHRHPGD
SCHEMBL1402532 0.81 ALDH1A1 (0.43) ALDH1A1CYP1A2HSD17B10TSHRHPGD
SCHEMBL22220190 0.81 ALDH1A1 (0.43) ALDH1A1CYP1A2HSD17B10TSHRHPGD
SCHEMBL1402326 0.81 TRPA1 (0.54) ALDH1A1CYP1A2HSD17B10TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024099074-A1 METHOD FOR ANALYZING NAPHTHALENE COMPOUNDS IN FRACTION BY USING MULTI-DIMENSIONAL GAS CHROMATOGRAPHY SYSTEM 中国石油天然气股份有限公司 2024-05-16 WO claimed
CN-118010855-A Method for analyzing naphthalene compounds in fractions by using multidimensional gas chromatography system 中国石油天然气股份有限公司 2024-05-10 CN claimed
US-11513104-B2 Methods for classification of hydrocarbon mixtures PURDUE RESEARCH FOUNDATION (US) 2022-11-29 US claimed
CN-110041202-B Preparation method of 1, 8-disubstituted naphthalene mononitration derivative 长江大学 2022-04-19 CN claimed
CN-108864327-B 5, 6-dimethyl acenaphthene (alpha-diimine) nickel olefin catalyst and preparation and application thereof 浙江大学 2020-10-09 CN claimed
US-20200132640-A1 METHODS FOR CLASSIFICATION OF HYDROCARBON MIXTURES PURDUE RESEARCH FOUNDATION 2020-04-30 US claimed
CN-110041202-A A kind of 1,8- bis- replaces the preparation method of naphthalene mono-nitration derivative 长江大学 2019-07-23 CN claimed
CN-110041203-A A kind of 1,8- bis- replaces the preparation method of naphthalene system condensed-nuclei aromatics mono-nitration derivative 长江大学 2019-07-23 CN claimed
CN-108864327-A 5,6- dimethyl acenaphthene(Alpha-diimine)Nickel alkene catalyst and its preparation and application 浙江大学 2018-11-23 CN claimed
EP-3339302-A1 PYRIDINE DERIVATIVE Teijin Pharma Limited (JP) 2018-06-27 EP claimed
EP-0589490-A1 Dimethylnaphthalene isomerization AMOCO CORPORATION (US) 1994-03-30 EP claimed
EP-0554704-A2 Process for producing dimethyl naphthalene MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1993-08-11 EP claimed
US-5118892-A Dehydrogenation of dimethyltetralins; isomerization AMOCO CORPORATION (US) 1992-06-02 US claimed
US-5073670-A Preparation of a dimethyltetralin AMOCO CORPORATION (US) 1991-12-17 US claimed
US-5012024-A Catalytic dehydrogenation of dimethyltetralins AMOCO CORPORATION (US) 1991-04-30 US claimed
US-4962260-A ISOMERIZATION IN PRESENCE OF SOLID ZEOLITIC CATALYST AMOCO CORPORATION (US) 1990-10-09 US claimed
US-4950825-A CATALYTIC CYCLIZATION OF 5-TOLYL-(OR PHENYL-) PENT(HEX)-1 OR 2-ENE USING ZEOLITE CATALYST AMOCO CORPORATION (US) 1990-08-21 US claimed
EP-0351074-A1 Preparation of a dimethyltetralin AMOCO CORPORATION (US) 1990-01-17 EP claimed
WO-1989012612-A1 PREPARATION OF A DIMETHYLTETRALIN AMOCO CORPORATION (US) 1989-12-28 WO claimed
US-4556751-A ZEOLITE MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1985-12-03 US claimed