SCHEMBL2138533

SCHEMBL2138533

CCOC(=O)C(C)(C(=O)OCC)c1ccc(-c2ccccc2F)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 2/20 0.42
GPR119 Q8TDV5 4/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
PIN1 Q13526 1/20 0.39
DHODH Q02127 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MME P08473 1/20 0.38
SCD O00767 1/20 0.38
APP P05067 1/20 0.38
MMP8 P22894 1/20 0.38
ALOX5 P09917 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
SCHEMBL11842439 0.88 ALDH1A1 (0.47) ALDH1A1MAPTL3MBTL1NPC1PKM
SCHEMBL11831381 0.86 ALDH1A1 (0.46) ALDH1A1MAPTL3MBTL1NPC1PKM
SCHEMBL11730443 0.85 ALDH1A1 (0.41) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL2138531 0.84 APP (0.48) MAPTGPR119PIN1HPGDAPP
SCHEMBL10704180 0.79 NPC1 (0.52) ALDH1A1MAPTL3MBTL1NPC1PKM
SCHEMBL10781077 0.79 APP (0.49) MAPTGPR119PIN1HPGDAPP
SCHEMBL2910521 0.78 PIN1 (0.54) ALDH1A1MAPTNPSR1PPARAPIN1
SCHEMBL11502322 0.77 APP (0.44) MAPTGPR119PIN1HPGDAPP
SCHEMBL11101131 0.77 MAPT (0.56) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL6186134 0.75 APP (0.47) MAPTNPSR1PIN1HPGDAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242278-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-14 US disclosed
US-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI (JP) 2012-04-26 US disclosed
EP-1473286-B1 PROCESS FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL CO (JP) 2009-11-04 EP disclosed
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI 2009-08-27 US disclosed
US-7554000-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-30 US disclosed
US-20050096471-A1 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-05 US disclosed
EP-1473286-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2004-11-03 EP disclosed
EP-0100120-B1 IMPROVEMENT IN THE PROCESS FOR PREPARING BIARYL COMPOUNDS VIA COUPLING OF AN ARYLAMINE WITH AN ARENE Nobel Chemicals AB (SE) 1988-02-03 EP disclosed
US-4542233-A Process for preparing biaryl compounds via coupling of an arylamine with an arene BIASCHIM S.P.A. (IT) 1985-09-17 US disclosed
EP-0100120-A1 Improvement in the process for preparing biaryl compounds via coupling of an arylamine with an arene Nobel Chemicals AB (SE) 1984-02-08 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 (3 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-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR ALDH1A1 1191/4885MAPT 3403/4885L3MBTL1 4001/4885
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR ALDH1A1 1191/4885MAPT 3403/4885L3MBTL1 4001/4885
US-20050096471-A1 Process for producing biaryl compound PPOX, CAT, TYR ALDH1A1 1191/4885MAPT 3403/4885L3MBTL1 4001/4885

“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.