SCHEMBL9719302

SCHEMBL9719302

CC(=O)c1ccc2ccc(C)cc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 1.00
CYP1A2 P05177 2/20 0.58
MAPT P10636 3/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 1/20 0.52
KIF11 P52732 1/20 0.49
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
TDP1 Q9NUW8 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
STAT3 P40763 1/20 0.47
STAT1 P42224 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
LMNA P02545 1/20 0.43
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 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
SCHEMBL31395459 0.94 CYP2A6 (0.88) CYP2A6CYP1A2MAPTALDH1A1HPGD
SCHEMBL3370424 0.94 CYP2A6 (0.88) CYP2A6CYP1A2MAPTALDH1A1HPGD
SCHEMBL29451111 0.89 CYP2A6 (0.79) CYP2A6MAPTALDH1A1HPGDNPC1
SCHEMBL599006 0.89 CYP2A6 (0.79) CYP2A6MAPTALDH1A1HPGDNPC1
SCHEMBL3390868 0.83 CYP2A6 (0.71) CYP2A6CYP1A2MAPTALDH1A1HPGD
SCHEMBL21215857 0.82 CYP2A6 (0.69) CYP2A6MAPTALDH1A1HPGDNPC1
SCHEMBL15105728 0.82 CYP2A6 (0.69) CYP2A6MAPTALDH1A1HPGDNPC1
SCHEMBL834744 0.82 CYP2A6 (0.68) CYP2A6MAPTALDH1A1HPGDNPC1
SCHEMBL7391467 0.82 CYP2A6 (0.69) CYP2A6CYP1A2ALDH1A1NPC1RAB9A
SCHEMBL9719329 0.81 CYP2A6 (0.68) CYP2A6MAPTALDH1A1HPGDNPC1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5026917-A Acetylation of 2-methylnaphthalenes AMOCO CORPORATION (US) 1991-06-25 US claimed
CN-119504333-A Preparation method and application of 2-methyl-6-alkyl naphthalene 煤炭科学技术研究院有限公司 2025-02-25 CN disclosed
CN-113292409-B Method for separating high-purity 2-methyl-6-acylnaphthalene and 2-methyl-7-acylnaphthalene and application of rectification in method 中化国际新材料(河北)有限公司 2022-10-11 CN disclosed
CN-113292409-A Method for separating high-purity 2-methyl-6-acylnaphthalene and 2-methyl-7-acylnaphthalene and application of rectification in method 中化国际新材料(河北)有限公司 2021-08-24 CN disclosed
US-20110215240-A1 POLYMER ELECTROLYTE MEMBRANE, METHOD FOR PRODUCING THE SAME, AND PROTON CONDUCTIVITY EVALUATION METHOD FOR POLYMER ELECTROLYTE MEMBRANE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-09-08 US disclosed
US-7973088-B2 anionic block copolymers selecting from polyether sulfones, polyether ketones, polythioether ketones; use the verification of a distribution of the ionic segment in the surface region to measure proton conductivity; excellent proton conductivity in its thickness direction SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-05 US disclosed
US-20080053820-A1 POLYMER ELECTROLYTE MEMBRANE, METHOD FOR PRODUCING THE SAME, AND PROTON CONDUCTIVITY EVALUATION METHOD FOR POLYMER ELECTROLYTE MEMBRANE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-06 US disclosed
CN-100334058-C Production of 2-alkyl-6-acyl-naphthaline UNIV EAST CHINA SCIENCE & TECH (CN) 2007-08-29 CN disclosed
CN-1817843-A Production of 2-alkyl-6-acyl-naphthaline HUADONG SCIENCE AND TECHNOLOGY (CN) 2006-08-16 CN disclosed
US-5138098-A Catalytic actlation using complexing agent AMOCO CORPORATION (US) 1992-08-11 US disclosed
US-5026917-A Acetylation of 2-methylnaphthalenes AMOCO CORPORATION (US) 1991-06-25 US disclosed
US-4935537-A OXIDIZING ACYLALKYLNAPHTHALENE WITH PEROXIDE, OXIDIZING PRODUCT WITH OXYGEN USING CATALYST CONTAINING COBALT AND BROMINE COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1990-06-19 US disclosed
US-4801737-A Process for producing acyloxynaphthoic acids MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1989-01-31 US disclosed
EP-0170273-B1 PROCESS FOR PRODUCING ACYLOXYNAPHTHOIC ACIDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1988-12-28 EP disclosed
EP-0170273-A2 Process for producing acyloxynaphthoic acids MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1986-02-05 EP disclosed