SCHEMBL409985

SCHEMBL409985

Cc1ccc2c(c1)C(C)CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.43
HTR2C P28335 9/20 0.43
HTR2B P41595 8/20 0.43
SLC6A4 P31645 2/20 0.43
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
HTR2A P28223 8/20 0.40
ADRB1 P08588 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CNR1 P21554 1/20 0.40
SLC6A2 P23975 1/20 0.40
HRH1 P35367 1/20 0.40
KCNH2 Q12809 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
PARP1 P09874 1/20 0.38
PARP10 Q53GL7 1/20 0.38

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
SCHEMBL30298336 1.00 ACHE (0.43) ACHEHTR2CHTR2BSLC6A4DRD2
SCHEMBL8900410 0.88 ACHE (0.41) ACHEHTR2CHTR2BSLC6A4DRD2
SCHEMBL413401 0.83 SRD5A1 (0.47) ACHEHTR2CHTR2BSLC6A4DRD2
SCHEMBL30298331 0.83 SRD5A1 (0.47) ACHEHTR2CHTR2BSLC6A4DRD2
SCHEMBL24593559 0.78 HTR2A (0.64) HTR2CHTR2BSLC6A4HTR2AADRB1
SCHEMBL19479394 0.78 DRD1 (0.42) HTR2CHTR2BSLC6A4DRD2DRD1
SCHEMBL24737425 0.78 HTR2C (0.64) HTR2CHTR2BSLC6A4DRD2HTR2A
SCHEMBL17571270 0.78 UGT2B17 (0.46) HTR2CHTR2BSLC6A4DRD2DRD1
SCHEMBL13102425 0.78 ACHE (0.48) ACHEHTR2CHTR2BSLC6A4DRD2
SCHEMBL13967761 0.78 SLC6A4 (0.42) ACHEHTR2CHTR2BSLC6A4DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10913902-B2 Production of high energy-dense liquid hydrocarbon from low energy-dense aqueous solutions of oxygen containing organic compound(s) THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2021-02-09 US claimed
US-20200056099-A1 PRODUCTION OF HIGH ENERGY-DENSE LIQUID HYDROCARBON FROM LOW ENERGY-DENSE AQUEOUS SOLUTIONS OF OXYGEN CONTAINING ORGANIC COMPOUND(S) THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY 2020-02-20 US claimed
US-8895789-B2 Fuel composition for use in gasoline engines SHELL OIL COMPANY (US) 2014-11-25 US claimed
WO-2024134973-A1 COMPOUND, AND LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT, SENSOR, LIQUID CRYSTAL LENS, OPTICAL COMMUNICATION DEVICE AND ANTENNA EACH USING SAME DIC株式会社 2024-06-27 WO disclosed
US-10913902-B2 Production of high energy-dense liquid hydrocarbon from low energy-dense aqueous solutions of oxygen containing organic compound(s) THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2021-02-09 US disclosed
US-20200056099-A1 PRODUCTION OF HIGH ENERGY-DENSE LIQUID HYDROCARBON FROM LOW ENERGY-DENSE AQUEOUS SOLUTIONS OF OXYGEN CONTAINING ORGANIC COMPOUND(S) THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY 2020-02-20 US disclosed
EP-2995611-B1 ALPHA-SUBSTITUTED GLYCINEAMIDE DERIVATIVE KISSEI PHARMACEUTICAL (JP) 2017-10-11 EP disclosed
WO-2017034872-A1 INDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 WO 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
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-2008051382-A2 METHOD OF MAKING A SOLVENT FROM RUBBER TIRES NATURAL RESOURCE RECOVERY, INC. (US) 2008-05-02 WO disclosed
US-20080096787-A1 from waste tires comprising heating tire particles in an enclosures to generate hydrocarbon vapors rich in limonene and naphthalene, and carbon black solids NATURAL RESOURCE RECOVERY, INC. 2008-04-24 US disclosed
US-20080017496-A1 SYSTEM, METHOD AND PROCESS OF RECOVERING OIL FROM USED AUTOMOBILE TIRES THOMPSON DAVID B 2008-01-24 US disclosed
WO-2007079133-A2 SYSTEM AND METHOD FOR RECYCLING WASTE INTO ENERGY NATURAL RESOURCE RECOVERY, INC. (US) 2007-07-12 WO disclosed
EP-1792893-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2007-06-06 EP disclosed