SCHEMBL49861

SCHEMBL49861

Cc1ccc2ccccc2c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 1.00
CYP1A2 P05177 6/20 1.00
TSHR P16473 5/20 1.00
ALDH1A1 P00352 6/20 0.56
HSD17B10 Q99714 5/20 0.55
TDP1 Q9NUW8 2/20 0.55
HPGD P15428 3/20 0.52
HIF1A Q16665 2/20 0.52
CYP3A4 P08684 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MAPK1 P28482 1/20 0.52
CASP1 P29466 1/20 0.52
RAB9A P51151 1/20 0.52
CASP7 P55210 1/20 0.52
ATM Q13315 1/20 0.52
HPRT1 P00492 1/20 0.50
CYP1B1 Q16678 1/20 0.46
MAPT P10636 2/20 0.43
NCEH1 Q6PIU2 1/20 0.43
LCK P06239 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
SCHEMBL29736830 1.00 CYP2A6 (1.00) CYP2A6CYP1A2TSHRALDH1A1HSD17B10
SCHEMBL28814927 1.00 CYP2A6 (1.00) CYP2A6CYP1A2TSHRALDH1A1HSD17B10
SCHEMBL2810486 0.97 CYP2A6 (0.95) CYP2A6CYP1A2TSHRALDH1A1HSD17B10
SCHEMBL31498531 0.97 CYP2A6 (0.95) CYP2A6CYP1A2TSHRALDH1A1HSD17B10
SCHEMBL28536959 0.97 CYP2A6 (0.95) CYP2A6CYP1A2TSHRALDH1A1HSD17B10
SCHEMBL2810487 0.97 CYP2A6 (0.95) CYP2A6CYP1A2TSHRALDH1A1HSD17B10
SCHEMBL10684038 0.97 CYP2A6 (0.95) CYP2A6CYP1A2TSHRALDH1A1HSD17B10
SCHEMBL9614419 0.97 CYP2A6 (0.95) CYP2A6CYP1A2TSHRALDH1A1HSD17B10
Methane SCHEMBL16097895 0.97 CYP2A6 (0.95) CYP2A6CYP1A2TSHRALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL28870953 0.95 CYP2A6 (0.91) CYP2A6CYP1A2TSHRALDH1A1HSD17B10

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 10613 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122060138-A Polyurethane curing ballast bed with internal and external cooperative protection and construction method thereof 中国铁道科学研究院集团有限公司铁道建筑研究所 2026-05-19 CN claimed
EP-3543679-B1 METHOD FOR ANALYZING DIFFUSION COEFFICIENT OF SOLVENT MOLECULES IN POLYMER MATERIAL LG CHEMICAL LTD (KR) 2025-10-01 EP claimed
EP-4623011-A1 A COMPOSITION AND FABRICATION OF SENSOR MATERIAL USING MOLECULAR IMPRINTED POLYMER LAYER FOR DETECTION OF VOLATILES Accubits Invent Private Limited (IN) 2025-10-01 EP claimed
EP-4615667-A1 INJECTION MOLDING COMPOSITIONS COMPRISING RECYCLED POLYAMIDES RECOVERED UPON EXPLOITATION OF OFF-SHORE OR ON-SHORE OIL OR GAS DEPOSITS ARKEMA FRANCE (FR) 2025-09-17 EP claimed
EP-4615666-A1 EXTRUSION COMPOSITIONS COMPRISING RECYCLED POLYAMIDES RECOVERED UPON EXPLOITATION OF OFF-SHORE OR ON-SHORE OIL OR GAS DEPOSITS ARKEMA FRANCE (FR) 2025-09-17 EP claimed
EP-4584277-A1 BIS (ARENE) METAL COMPLEXES AND RELATED METHODS Entegris, Inc. (US) 2025-07-16 EP claimed
EP-3471557-B1 PROCESS AND SET FOR TREATING THE STORAGE ATMOSPHERE OF PLANT PRODUCTS XEDA INTERNATIONAL (FR) 2025-07-02 EP claimed
WO-2025137353-A1 METHODS FOR DETECTING CELLULAR TRANSITIONS CELLARITY, INC. (US) 2025-06-26 WO claimed
CN-119798054-B Alkyl functionalized cyclo-resveratrol hydrocarbon, preparation method thereof, capillary gas chromatographic column and application 洛阳师范学院 2025-06-13 CN claimed
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
US-3997410-A Electrodeposition of aluminum GILEADI ELIEZER 1976-12-14 US claimed
US-3996031-A Fractionation of multicomponent dimethylnaphthelenes feeds by selective crystallization SUN VENTURES, INC. (US) 1976-12-07 US claimed
US-3965160-A OXIDATION SUN VENTURES, INC. (US) 1976-06-22 US claimed
US-3963795-A XYLENE STANDARD OIL COMPANY (US) 1976-06-15 US claimed
US-3961095-A ALKYL NAPHTHALENE, FOODS, BEVERAGES FIRMENICH & CIE (CH) 1976-06-01 US claimed
US-3960976-A COMPLEXING WITH A TRIHALOACETATE FOLLOWED BY DECOMPOSITION MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1976-06-01 US claimed
US-3957896-A SELECTIVE ISOMERIZATION TEIJIN LIMITED (JA) 1976-05-18 US claimed
US-3952024-A FLAVOR ADDITIVE FOR FOODS AND BEVERAGES FIRMENICH & CIE (CH) 1976-04-20 US claimed
US-3944628-A METHYLNAPHTHALENES BY COMPLEXING WITH SILVER TRIFLUOROMETHANE SULFONATE MITSUBISHI CHEMICAL INDUSTRIES, LTD. (JA) 1976-03-16 US claimed
US-3931348-A RHENIUM OXIDE CYCLIZATION DEHYDROGENATION CATALYST MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JA) 1976-01-06 US claimed