SCHEMBL415651

SCHEMBL415651

Cc1cccc2c1C(C)CC2

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.39
HTR1A P08908 7/20 0.38
HTR2B P41595 2/20 0.38
MAP3K14 Q99558 1/20 0.38
HTR2A P28223 1/20 0.38
DRD2 P14416 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL31567653 0.88 TAS1R3 (0.40) HTR2CMAP3K14
SCHEMBL5027056 0.88 TAS1R3 (0.40) HTR2CMAP3K14
SCHEMBL527813 0.78 ACHE (0.41) HTR2CHTR1AHTR2BMAP3K14HTR2A
SCHEMBL15577042 0.78 HTR2C (0.62) HTR2CHTR1AHTR2BHTR2A
SCHEMBL2049735 0.78 DRD2 (0.53) HTR2CHTR1AHTR2BHTR2ADRD2
SCHEMBL23980140 0.78 MAP3K14 (0.37) HTR2CHTR1AHTR2BMAP3K14DRD2
SCHEMBL4650091 0.78 HTR2C (0.38) HTR2C
SCHEMBL1438023 0.78 MAP3K14 (0.53) HTR2CHTR1AHTR2BMAP3K14HTR2A
SCHEMBL22963773 0.78 HTR2C (0.38) HTR2CHTR1AHTR2BHTR2ADRD2
SCHEMBL16388972 0.78 DRD2 (0.41) HTR2CHTR1ADRD2

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 23 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
CN-118235543-A Composition for organic electronic devices 默克专利有限公司 2024-06-21 CN disclosed
CN-118202815-A Composition for organic electronic devices 默克专利有限公司 2024-06-14 CN disclosed
CN-111511878-B Composition for organic electronic devices 默克专利有限公司 2024-06-11 CN disclosed
CN-118020406-A Organic electroluminescent device 默克专利有限公司 2024-05-10 CN disclosed
CN-117917983-A Material for organic electroluminescent device 默克专利有限公司 2024-04-23 CN 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
US-20120022304-A1 FUEL COMPOSITION FOR USE IN GASOLINE ENGINES SHELL OIL COMPANY (US) 2012-01-26 US disclosed
CN-102307971-A Method for the preparation of a fuel composition for use in gasoline engines and blending component SHELL INT RESEARCH 2012-01-04 CN disclosed
CN-102282239-A Fuel composition for use in gasoline engines 2011-12-14 CN disclosed
CN-102282240-A Fuel composition for gasoline engine 2011-12-14 CN 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-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
WO-2010066879-A1 FUEL COMPOSITION FOR USE IN GASOLINE ENGINES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2010-06-17 WO disclosed