SCHEMBL49863

SCHEMBL49863

CCc1ccc2ccccc2c1.CCc1ccc2ccccc2c1.CCc1cccc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.69
CYP2A6 P11509 1/20 0.69
MC5R P33032 3/20 0.59
MAPK1 P28482 1/20 0.59
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
MC4R P32245 2/20 0.45
MC1R Q01726 2/20 0.45
MC3R P41968 1/20 0.45
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
RIOK2 Q9BVS4 1/20 0.44
NPBWR1 P48145 2/20 0.44
GAA P10253 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2C9 P11712 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
Acetic Acid SCHEMBL28149499 0.92 CYP1A2 (0.59) CYP1A2CYP2A6MC5RMAPK1MC4R
SCHEMBL3238625 0.85 CYP1A2 (0.55) CYP1A2CYP2A6MC5RMAPK1HTR2A
SCHEMBL3240202 0.85 CYP1A2 (0.55) CYP1A2CYP2A6MC5RMAPK1CYP2C19
Naphthalene SCHEMBL28758695 0.85 CYP1A2 (0.57) CYP1A2CYP2C19CYP2D6GAATDP1
Naphthalene SCHEMBL29140497 0.83 CYP1A2 (0.55) CYP1A2CYP2C19CYP2D6GAATDP1
SCHEMBL73386 0.83 CYP2A6 (1.00) CYP1A2CYP2A6MC5RMAPK1HTR2A
SCHEMBL30365968 0.83 CYP1A2 (0.59) CYP1A2CYP2C19CYP2D6GAATDP1
SCHEMBL47 0.83 CYP1A2 (0.59) CYP1A2CYP2C19CYP2D6GAATDP1
SCHEMBL31534025 0.83 CYP2A6 (1.00) CYP1A2CYP2A6MC5RMAPK1HTR2A
SCHEMBL6889822 0.83 CYP1A2 (0.58) CYP1A2CYP2A6MC5RMAPK1HTR2A

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

Appears in 2970 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116023218-B Method and system for separating anthracene alkylation reaction product 中国石油化工股份有限公司 2025-06-10 CN claimed
CN-112042275-B Composition and method for producing organic electroluminescent element 三菱化学株式会社 2025-03-28 CN claimed
CN-115127880-B Degreasing fluid for visual treatment of surgical pathological examination material and preparation method thereof 中国人民解放军海军军医大学第三附属医院 2024-12-31 CN claimed
CN-119119042-A Near-infrared response type asymmetric polymethine cyanine dye, and preparation method and application thereof 大连理工大学 2024-12-13 CN claimed
CN-114436804-B Alkylanthraquinone composition and method for preparing same 中国石油化工股份有限公司 2024-11-12 CN claimed
CN-114436798-B Alkylanthraquinone composition and method for preparing same 中国石油化工股份有限公司 2024-09-20 CN claimed
CN-118302504-A Preparation of renewable jet fuel from catalytic pyrolysis feedstock IFP 新能源公司 2024-07-05 CN claimed
EP-3601424-B1 FLAME-RETARDANT POLYAMIDE MOULDING MASSES BASF SE (DE) 2024-06-12 EP claimed
CN-114436733-B Alkylanthracene composition and preparation method thereof 中国石油化工股份有限公司 2024-06-11 CN claimed
US-20240182685-A1 POLYAMIDE COMPOSITIONS ENVALIOR DEUTSCHLAND GMBH (DE) 2024-06-06 US claimed
EP-0645964-A1 HERBICIDAL COMPOSITION. DOWELANCO (US) 1995-04-05 EP claimed
WO-1994023578-A1 HERBICIDAL COMPOSITION DOWELANCO (US) 1994-10-27 WO claimed
US-5329059-A Using MCM-49 porous catalyst MOBIL OIL CORP. (US) 1994-07-12 US claimed
WO-1994012536-A1 A PETROLEUM IMMUNOASSAY METHOD, ITS COMPONENTS AND A KIT FOR USE IN PERFORMING THE SAME ENSYS ENVIRONMENTAL PRODUCTS INC. (US) 1994-06-09 WO claimed
US-5300662-A Process for producing coumarin and derivatives thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-04-05 US claimed
US-5254766-A Alkylation MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-10-19 US claimed
EP-0135253-B2 PROCESS FOR PRODUCING AN ULTRAHIGH-MOLECULAR-WEIGHT POLYETHYLENE COMPOSITION AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1993-04-21 EP claimed
US-5073655-A Alkylation of aromatic hydrocarbon with aromatic alklating hal ide, alcohol or olefin, a mixed oxide of silica or germania wi th alumina, boria, iron oxide or gallium oxide MOBIL OIL CORP. (US) 1991-12-17 US claimed
US-4783438-A Partially pressure-sensitive recording paper KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-11-08 US claimed
US-3960976-A COMPLEXING WITH A TRIHALOACETATE FOLLOWED BY DECOMPOSITION MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1976-06-01 US claimed