SCHEMBL79036

SCHEMBL79036

Cc1ccc2c(c1)CCC(C)C2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 1/20 0.42
ACHE P22303 1/20 0.42
SRD5A1 P18405 5/20 0.40
OPRK1 P41145 1/20 0.38
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SLC6A4 P31645 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
CYP2A6 P11509 1/20 0.34
CYP2A13 Q16696 1/20 0.34

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
SCHEMBL597666 0.92 SRD5A1 (0.42) ALDH1A1CYP3A4ACHESRD5A1MAPT
SCHEMBL27246033 0.83 ACHE (0.47) ALDH1A1CYP3A4ACHESRD5A1MAPT
SCHEMBL80428 0.83 ACHE (0.47) ALDH1A1CYP3A4ACHESRD5A1MAPT
SCHEMBL31236154 0.83 ACHE (0.47) ALDH1A1CYP3A4ACHESRD5A1MAPT
SCHEMBL30930042 0.83 ACHE (0.47) ALDH1A1CYP3A4ACHESRD5A1MAPT
Hydrochloric Acid SCHEMBL31426377 0.81 ACHE (0.46) ALDH1A1CYP3A4ACHESRD5A1MAPT
SCHEMBL13184629 0.80 ALDH1A1 (0.47) ALDH1A1CYP3A4ACHESRD5A1MAPT
SCHEMBL24540244 0.78 OPRK1 (0.62) ACHEOPRK1MAPTLMNADRD2
SCHEMBL15431043 0.78 GRIN2B (0.43) ALDH1A1OPRK1MAPTLMNANPC1
SCHEMBL13189198 0.78 OPRK1 (0.62) ALDH1A1OPRK1MAPTDRD2

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 114 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
CN-1119305-C Method of making 2,6-dimethylnaphthalene from other dimethylnaphthalene isomers and from dimethyltetralins/dimethyldecalins with methyl group on each ring CHEVRON CHEM CO (US) 2003-08-27 CN claimed
EP-0996608-B1 METHOD OF MAKING 2,6-DIMETHYLNAPHTHALENE FROM OTHER DIMETHYLNAPHTHALENE ISOMERS AND FROM DIMETHYLTETRALINS/DIMETHYLDECALINS WITH A METHYL GROUP ON EACH RING CHEVRON PHILLIPS CHEMICAL CO (US) 2002-07-03 EP claimed
CN-1263518-A Method of making 2,6-dimethylnaphthalene from other dimethylnaphthalene isomers and from dimethyltetralins/dimethyldecalins with methyl group on each ring CHEVRON CHEM CO (US) 2000-08-16 CN claimed
EP-0996608-A1 METHOD OF MAKING 2,6-DIMETHYLNAPHTHALENE FROM OTHER DIMETHYLNAPHTHALENE ISOMERS AND FROM DIMETHYLTETRALINS/DIMETHYLDECALINS WITH A METHYL GROUP ON EACH RING Chevron Chemical Company LLC (US) 2000-05-03 EP claimed
US-6015930-A HYDROISOMERIZING WITH ACIDIC CATALYST AND METAL, DEHYDROGENATING WITH REFORMING CATALYST CHEVRON CHEMICAL COMPANY (US) 2000-01-18 US claimed
WO-1999003805-A1 METHOD OF MAKING 2,6-DIMETHYLNAPHTHALENE FROM OTHER DIMETHYLNAPHTHALENE ISOMERS AND FROM DIMETHYLTETRALINS/DIMETHYLDECALINS WITH A METHYL GROUP ON EACH RING CHEVRON CHEMICAL COMPANY LLC (US) 1999-01-28 WO claimed
EP-0582108-B1 Process for production of dimethyltetralin MITSUBISHI GAS CHEMICAL CO (JP) 1996-10-09 EP claimed
US-5401892-A Catalytic cyclization AMOCO CORPORATION (US) 1995-03-28 US claimed
EP-0351074-B1 Preparation of a dimethyltetralin AMOCO CORP (US) 1994-09-07 EP claimed
EP-0582108-A1 Process for production of dimethyltetralin MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1994-02-09 EP claimed
US-5189234-A Dimethyltetralin to dimethylnaphthalene AMOCO CORPORATION (US) 1993-02-23 US claimed
US-5118892-A Dehydrogenation of dimethyltetralins; isomerization AMOCO CORPORATION (US) 1992-06-02 US claimed
US-5073670-A Preparation of a dimethyltetralin AMOCO CORPORATION (US) 1991-12-17 US claimed
US-5030781-A Cyclization of tolyl pentenes or phenyl hexenes using zeolite type y catalyst AMOCO CORPORATION (US) 1991-07-09 US claimed
US-5012024-A Catalytic dehydrogenation of dimethyltetralins AMOCO CORPORATION (US) 1991-04-30 US claimed
US-4950825-A CATALYTIC CYCLIZATION OF 5-TOLYL-(OR PHENYL-) PENT(HEX)-1 OR 2-ENE USING ZEOLITE CATALYST AMOCO CORPORATION (US) 1990-08-21 US claimed
EP-0351074-A1 Preparation of a dimethyltetralin AMOCO CORPORATION (US) 1990-01-17 EP claimed
WO-1989012612-A1 PREPARATION OF A DIMETHYLTETRALIN AMOCO CORPORATION (US) 1989-12-28 WO claimed