SCHEMBL1222150

SCHEMBL1222150

COC(=O)c1ccc(N(C)c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.64
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
ROCK2 O75116 1/20 0.57
RAB9A P51151 4/20 0.56
MAPT P10636 4/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
NOTUM Q6P988 1/20 0.54
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
TDP1 Q9NUW8 1/20 0.52
CA12 O43570 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51

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
SCHEMBL6011752 0.92 NOTUM (0.61) TSHRMEN1KMT2AROCK2RAB9A
SCHEMBL4408743 0.87 TSHR (0.67) TSHRMEN1KMT2AROCK2RAB9A
SCHEMBL4755625 0.87 ALDH1A1 (0.50) TSHRMEN1KMT2AROCK2RAB9A
SCHEMBL5608478 0.84 TSHR (0.58) TSHRMEN1KMT2AROCK2RAB9A
SCHEMBL19278558 0.84 CA1 (0.75) TSHRMEN1KMT2ARAB9AMAPT
SCHEMBL12893704 0.82 NOTUM (0.51) TSHRMEN1KMT2AROCK2RAB9A
SCHEMBL8364599 0.82 TSHR (0.60) TSHRMEN1KMT2AROCK2RAB9A
SCHEMBL2467203 0.82 HTT (0.64) TSHRMEN1KMT2AROCK2RAB9A
Methyl Benzoate SCHEMBL28249321 0.82 TSHR (0.95) TSHRMEN1KMT2ARAB9AMAPT
Benzene SCHEMBL28351738 0.82 TSHR (0.85) TSHRMEN1KMT2ARAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3184448-B1 MULTILAYER PLASTIC CONTAINER MITSUBISHI GAS CHEMICAL CO (JP) 2019-04-03 EP disclosed
US-20170267436-A1 MULTILAYER PLASTIC CONTAINER MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2017-09-21 US disclosed
EP-3184448-A1 MULTILAYER PLASTIC CONTAINER Mitsubishi Gas Chemical Company, Inc. (JP) 2017-06-28 EP disclosed
US-20130310379-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-11-21 US disclosed
WO-2012068589-A2 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2012-05-24 WO disclosed
WO-2012068589-A2 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2012-05-24 WO disclosed
US-20110046134-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE BISCHOFF ALEXANDER 2011-02-24 US disclosed
US-20110046134-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE BISCHOFF ALEXANDER 2011-02-24 US disclosed
US-20110046134-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE BISCHOFF ALEXANDER 2011-02-24 US disclosed
US-7842696-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-30 US disclosed
EP-1313560-B1 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION UNIV YALE (US) 2007-12-19 EP disclosed
US-6562989-B2 Bicyclopentyl iron ligand and transition metal catalyst YALE UNIVERSITY 2003-05-13 US disclosed
US-20030008768-A1 Catalyst for aromatic C-O, C-N, and C-C bond formation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-01-09 US disclosed
EP-0778209-B1 Oxygen absorbing container TOYO SEIKAN KAISHA LTD (JP) 1998-09-09 EP disclosed
US-5800887-A CARBON MONOXIDE-STYRENE OR ETHYLENE COPOLYMER TOYO SEIKAN KAISHA, LTD. (JP) 1998-09-01 US disclosed
EP-0778209-A1 Oxygen absorbing container TOYO SEIKAN KAISHA LIMITED (JP) 1997-06-11 EP disclosed
US-RE35135-E Dental material; mixture of radical-polymerizable monomer, alpha-ketocarbonyl and aromatic amine MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1995-12-26 US disclosed
EP-0136186-B1 PHOTOCURABLE RESIN COMPOSITION MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-09-06 EP disclosed
US-4548689-A RADICAL POLYMERIZABLE MONOMER, KETOCARBONYL COMPOUND AND MERCAPTOB MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1985-10-22 US disclosed
EP-0136186-A2 Photocurable resin composition MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1985-04-03 EP 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-20110046134-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 TSHR 4601/4885MEN1 4883/4885KMT2A 1389/4885
US-20130310379-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 TSHR 4426/4885MEN1 2650/4885KMT2A 84/4885

“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.