SCHEMBL413656

SCHEMBL413656

CC1CC(C)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
NOTUM Q6P988 1/20 0.38
MAPT P10636 1/20 0.38
KDM1A O60341 2/20 0.36
KDM1B Q8NB78 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
SCHEMBL30298332 1.00 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ACHRNB4CHRNA3
Bromide SCHEMBL28348255 0.97 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ACHRNB4CHRNA3
SCHEMBL31326515 0.84 MEN1 (0.38) ALDH1A1MEN1KMT2ACHRNB4CHRNA3
SCHEMBL13573738 0.84 MEN1 (0.38) ALDH1A1MEN1KMT2ACHRNB4CHRNA3
SCHEMBL2215264 0.84 MEN1 (0.38) ALDH1A1MEN1KMT2ACHRNB4CHRNA3
SCHEMBL24819998 0.84 MEN1 (0.38) ALDH1A1MEN1KMT2ACHRNB4CHRNA3
SCHEMBL13080849 0.84 SLC6A2 (0.48) ALDH1A1MEN1KMT2ANOS3NOS1
SCHEMBL24822696 0.84 MEN1 (0.38) ALDH1A1MEN1KMT2ACHRNB4CHRNA3
SCHEMBL783666 0.84 SLC6A2 (0.48) ALDH1A1MEN1KMT2ANOS3NOS1
SCHEMBL13080848 0.84 MEN1 (0.38) ALDH1A1MEN1KMT2ACHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895789-B2 Fuel composition for use in gasoline engines SHELL OIL COMPANY (US) 2014-11-25 US claimed
US-7700232-B2 Comprises an electrolyte salt in a non-aqueous solvent which contains a tert-alkylbenzene compound of high purity; battery improved in safety, excellent in cycle performance and storage performance at a high temperature, improved safety UBE INDUSTRIES, LTD. (JP) 2010-04-20 US claimed
US-20080248399-A1 Comprises an electrolyte salt in a non-aqueous solvent which contains a tert-alkylbenzene compound of high purity; battery improved in safety, excellent in cycle performance and storage performance at a high temperature, improved safety UBE INDUSTRIES, LTD. (JP) 2008-10-09 US claimed
US-10793779-B2 Method for separating soluble organic matter in petroleum coke SHANDONG CHAMBROAD PETROCHEMICALS CO., LTD. (CN) 2020-10-06 US disclosed
US-20200157332-A1 THERMOSETTING RESIN COMPOSITION AND PREPREG AND METAL FOIL-COVERED LAMINATE MADE USING SAME SHENGYI TECHNOLOGY CO., LTD. (CN) 2020-05-21 US disclosed
US-20190078025-A1 METHOD FOR SEPARATING SOLUBLE ORGANIC MATTER IN PETROLEUM COKE SHANDONG CHAMBROAD PETROCHEMICALS CO., LTD. (CN) 2019-03-14 US disclosed
US-8895789-B2 Fuel composition for use in gasoline engines SHELL OIL COMPANY (US) 2014-11-25 US disclosed
US-8876920-B2 Fuel composition for use in gasoline engines SHELL OIL COMPANY (US) 2014-11-04 US disclosed
CN-102282240-B Fuel composition for gasoline engine SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2014-10-29 CN disclosed
CN-102282239-B Fuel composition for use in gasoline engines SHELL INT RESEARCH 2014-04-02 CN disclosed
EP-2367907-B1 FUEL COMPOSITION FOR USE IN GASOLINE ENGINES SHELL INT RESEARCH (NL) 2013-04-24 EP disclosed
EP-2367908-A1 FUEL COMPOSITION FOR USE IN GASOLINE ENGINES Shell Internationale Research Maatschappij B.V. (NL) 2011-09-28 EP disclosed
EP-2367906-A1 METHOD FOR THE PREPARATION OF A FUEL COMPOSITION FOR USE IN GASOLINE ENGINES AND BLENDING COMPONENT Shell Internationale Research Maatschappij B.V. (NL) 2011-09-28 EP disclosed
EP-2367907-A1 FUEL COMPOSITION FOR USE IN GASOLINE ENGINES Shell Internationale Research Maatschappij B.V. (NL) 2011-09-28 EP disclosed
WO-2010066879-A1 FUEL COMPOSITION FOR USE IN GASOLINE ENGINES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2010-06-17 WO disclosed
WO-2010066876-A1 FUEL COMPOSITION FOR USE IN GASOLINE ENGINES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2010-06-17 WO disclosed
WO-2010066881-A1 METHOD FOR THE PREPARATION OF A FUEL COMPOSITION FOR USE IN GASOLINE ENGINES AND BLENDING COMPONENT SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2010-06-17 WO disclosed
US-7700232-B2 Comprises an electrolyte salt in a non-aqueous solvent which contains a tert-alkylbenzene compound of high purity; battery improved in safety, excellent in cycle performance and storage performance at a high temperature, improved safety UBE INDUSTRIES, LTD. (JP) 2010-04-20 US disclosed
US-20080248399-A1 Comprises an electrolyte salt in a non-aqueous solvent which contains a tert-alkylbenzene compound of high purity; battery improved in safety, excellent in cycle performance and storage performance at a high temperature, improved safety UBE INDUSTRIES, LTD. (JP) 2008-10-09 US disclosed
US-4182896-A ANTIINFLAMMATORY AGENTS, ANALGESICS SOCIETE HEXACHIMIE (FR) 1980-01-08 US disclosed