SCHEMBL2914935

SCHEMBL2914935

CC(C)(C)OC(=O)Cc1ccc2ccccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2A6 P11509 1/20 0.46
ALOX5 P09917 1/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
NR1H4 Q96RI1 1/20 0.44
VNN1 O95497 1/20 0.44
GSK3A P49840 1/20 0.44
MAPK10 P53779 1/20 0.44
RIOK2 Q9BVS4 1/20 0.44
PTGS1 P23219 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
BCHE P06276 1/20 0.43

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
SCHEMBL22506942 0.92 MTNR1A (0.48) L3MBTL1CTSBCTSSCTSKMEN1
SCHEMBL29059942 0.84 CYP1A2 (0.53) CTSBCTSSCTSKCYP1A2CYP2A6
SCHEMBL2662328 0.81 MEN1 (0.57) L3MBTL1MEN1KMT2ANR1H4GSK3A
SCHEMBL31170867 0.81 MEN1 (0.57) L3MBTL1MEN1KMT2ANR1H4GSK3A
SCHEMBL1492725 0.81 CYP19A1 (0.42) MTNR1AMTNR1BPTGS1AKR1C3AKR1C2
Hydrochloric Acid SCHEMBL5846666 0.80 MEN1 (0.56) L3MBTL1MEN1KMT2ANR1H4GSK3A
SCHEMBL27614307 0.80 MEN1 (0.51) L3MBTL1MEN1KMT2ACYP1A2CYP2A6
SCHEMBL27520004 0.80 TSHR (0.53) L3MBTL1KMT2AMTNR1AMTNR1B
SCHEMBL265881 0.79 L3MBTL1 (0.56) L3MBTL1MEN1KMT2ACYP1A2CYP2A6
SCHEMBL1346095 0.79 TSHR (0.56) L3MBTL1KMT2AMTNR1AMTNR1B

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101701066-B Polyether-loaded N-heterocyclic carbene-palladium compound and preparation method and application thereof UNIV LUOYANG NORMAL 2011-11-09 CN disclosed
US-7858629-B2 Substituted imidazole 4-carboxamides as cholecystokinin-1 receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-12-28 US disclosed
EP-2010178-B1 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2010-09-01 EP disclosed
CN-101701066-A Polyether-loaded N-heterocyclic carbene-palladium compound and preparation method and application thereof UNIV LUOYANG NORMAL 2010-05-05 CN disclosed
US-20090239862-A1 3-{(3S)-4-{[1-(3-ethoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-4-yl]carbonyl}-3 -[(isopropylamino)carbonyl]-1-piperazinyl}-1-naphthoic acid, useful for the treatment, control, or prevention of obesity and diabetes MERCK SHARP & DOHME CORP. 2009-09-24 US disclosed
EP-2010178-A4 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK & CO INC (US) 2009-04-29 EP disclosed
EP-2010178-A2 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2009-01-07 EP disclosed
WO-2007120688-A2 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-10-25 WO disclosed
EP-1441256-B1 Radiation-sensitive resin composition JSR CORP (JP) 2006-05-31 EP disclosed
EP-0789278-B1 Radiation-sensitive resin composition JSR CORP (JP) 2005-05-04 EP disclosed
EP-1441256-A1 Radiation-sensitive resin composition JSR Corporation (JP) 2004-07-28 EP disclosed
US-6727032-B1 USEFUL IN MICRO-PROCESSING USING VARIOUS RADIATIONS, E.G., FAR-ULTRAVIOLET RADIATION SUCH AS KRF EXCIMER LASER OR ARF EXCIMER LASER, X RAYS SUCH AS SYNCHROTRON RADIATION, CHARGED PARTICLE RADIATION SUCH AS ELECTRON BEAM, ETC. JSR CORPORATION (JP) 2004-04-27 US disclosed
US-6692887-B1 COPOLYMER OF SUCH AS MALEIC ANHYDRIDE AND NORBORNENE ACID CLEAVABLE DERIVATIVE; TRANSPARENCY; DRY ETCHING RESISTANCE; PHOTORESIST PATTERN WITH HIGH ADHESION, SENSITIVITY, RESOLUTION AND DEVELOPABILITY JSR CORPORATION (JP) 2004-02-17 US disclosed
EP-0789278-A2 Radiation-sensitive resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1997-08-13 EP disclosed
US-4642370-A Process for the production of carboxylic acid esters THE BRITISH PETROLEUM COMPANY P.L.C. (GB) 1987-02-10 US disclosed
WO-1985000596-A1 PROCESS FOR THE PRODUCTION OF CARBOXYLIC ACID ESTERS THE BRITISH PETROLEUM COMPANY P.L.C. (GB) 1985-02-14 WO disclosed
EP-0132144-A1 Process for the production of carboxylic acid esters The British Petroleum Company p.l.c. (GB) 1985-01-23 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 (1 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-20090239862-A1 3-{(3S)-4-{[1-(3-ethoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-4-yl]carbonyl}-3 -[(isopropylamino)carbonyl]-1-piperazinyl}-1-naphthoic acid, useful for the treatment, control, or prevention of obesity and diabetes CCKAR, CCKBR, GIPR L3MBTL1 2383/4885CTSB 2726/4885CTSS 2192/4885

“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.