SCHEMBL451157

SCHEMBL451157

c1ccc2c(c1)CCC2.c1ccc2c(c1)CCC2

nearest known ligand 0.86

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.86
MAOB P27338 4/20 0.55
MAOA P21397 3/20 0.55
CYP2A6 P11509 2/20 0.55
HTR2C P28335 1/20 0.53
MAPT P10636 1/20 0.48
PNMT P11086 1/20 0.46
CD44 P16070 1/20 0.46
DRD4 P21917 2/20 0.45
DRD2 P14416 1/20 0.43
DRD1 P21728 1/20 0.43
DRD5 P21918 1/20 0.43
DRD3 P35462 1/20 0.43
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BCL2L1 Q07817 1/20 0.42
BAD Q92934 1/20 0.42
PLAU P00749 1/20 0.42

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
SCHEMBL3057782 1.00 TSHR (0.86) TSHRMAOBMAOACYP2A6HTR2C
SCHEMBL9662 1.00
SCHEMBL29354295 1.00
Ammonia Solution, Strong SCHEMBL6332955 0.96 TSHR (0.80) TSHRMAOBMAOACYP2A6HTR2C
Bromide SCHEMBL9504217 0.96 TSHR (0.80) TSHRMAOBMAOACYP2A6HTR2C
Methane SCHEMBL19946467 0.96 TSHR (0.80) TSHRMAOBMAOACYP2A6HTR2C
SCHEMBL8676208 0.96 TSHR (0.80) TSHRMAOBMAOACYP2A6HTR2C
SCHEMBL6277308 0.96 TSHR (0.80) TSHRMAOBMAOACYP2A6HTR2C
Ammonia Solution, Strong SCHEMBL1151087 0.96 TSHR (0.80) TSHRMAOBMAOACYP2A6HTR2C
Water SCHEMBL7121211 0.96 TSHR (0.80) TSHRMAOBMAOACYP2A6HTR2C

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
EP-2367908-B1 FUEL COMPOSITION FOR USE IN GASOLINE ENGINES SHELL INT RESEARCH (NL) 2013-02-20 EP claimed
EP-3475391-A1 PROCESS FOR THE PREPARATION OF LOW MOLECULAR WEIGHT AROMATICS (BTX) AND BIOFUELS FROM BIOMASS Biobtx B.V. (NL) 2019-05-01 EP disclosed
WO-2017222380-A1 PROCESS FOR THE PREPARATION OF LOW MOLECULAR WEIGHT AROMATICS (BTX) AND BIOFUELS FROM BIOMASS BIOBTX B.V. (NL) 2017-12-28 WO disclosed
CN-107001783-A Platable resin composition 沙特基础工业全球技术公司 2017-08-01 CN disclosed
CN-104718238-B Dihydroxy aromatic compounds is prepared by the alcoholysis compositions containing Merlon 沙特基础工业公司 2016-08-24 CN disclosed
CN-102933236-B Pyrrolobenzodiazepines and conjugates thereof SPIROGEN LTD. (CH) 2014-10-08 CN disclosed
US-20140225101-A1 Organic Semiconductor Composition And Organic Transistor CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2014-08-14 US disclosed
EP-2367907-B1 FUEL COMPOSITION FOR USE IN GASOLINE ENGINES SHELL INT RESEARCH (NL) 2013-04-24 EP disclosed
CN-102933236-A Pyrrolobenzodiazepines and conjugates thereof SPIROGEN LTD 2013-02-13 CN disclosed
US-20120101316-A1 METHOD FOR THE PREPARATION OF A FUEL COMPOSITION FOR USE IN GASOLINE ENGINES AND BLENDING COMPONENT SHELL OIL COMPANY 2012-04-26 US disclosed
EP-2367908-A1 FUEL COMPOSITION FOR USE IN GASOLINE ENGINES Shell Internationale Research Maatschappij B.V. (NL) 2011-09-28 EP disclosed
US-7989445-B2 Thienopyrimidone compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-02 US disclosed
US-20110105572-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2011-05-05 US disclosed
US-7935836-B2 Compounds comprising a linear series of five fused carbon rings, and preparation thereof FALLIS ALEXANDER GRAHAM 2011-05-03 US disclosed
EP-1432669-B1 4-(C2-6 ALKOXY)-SUBSTITUTED CHALCONES AS THERAPEUTIC AGENTS SPEAR THERAPEUTICS LTD (GB) 2011-03-23 EP disclosed
EP-2292593-A2 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors TopoTarget UK Limited (GB) 2011-03-09 EP disclosed
US-7880020-B2 e.g trichlorostatin A; antiproliferative agent; for treating cancer and psoriasis TOPOTARGET UK LIMITED (GB) 2011-02-01 US disclosed
US-20100249197-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2010-09-30 US disclosed
US-20090314683-A1 METHOD FOR PRODUCING HYDROCARBON FRACTIONS JAPAN ENERGY CORPORATION (JP) 2009-12-24 US disclosed
US-6589969-B1 A peroxisome proliferator activated receptor regulator containing a compound of formula (I) Because of having an effect of regulating PPAR, a compound of formula (I) is useful as a hypoglycemic agent, a hypolipidemic agent, a preventive ONO PHARMACEUTICAL CO., LTD. (JP) 2003-07-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110105572-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC7, HDAC5 TSHR 2210/4885MAOB 2134/4885MAOA 2039/4885
US-20100249197-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC11, HDAC3 TSHR 2764/4885MAOB 1742/4885MAOA 1074/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.