SCHEMBL379248

SCHEMBL379248

CCOC(=O)C(C(=O)OCC)C(C)(C)c1cc(F)ccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
PPARG P37231 1/20 0.39
NR3C1 P04150 2/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
FBP1 P09467 1/20 0.37
POLB P06746 2/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK14 Q16539 1/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL10089088 0.93 EPHX2 (0.38) EPHX2PPARGNR3C1TSHRMAPT
SCHEMBL379249 0.79 MAPT (0.36) EPHX2PPARGNR3C1TSHRMAPT
SCHEMBL8253229 0.78 MAPT (0.44) EPHX2PPARGMAPTMEN1KMT2A
SCHEMBL14489353 0.73 MAPT (0.40) PPARGNR3C1TSHRMAPTMEN1
SCHEMBL5643829 0.72 NR3C1 (0.44) NR3C1PGRNR3C2
SCHEMBL14340596 0.70 NR3C1 (0.52) NR3C1NPSR1POLBALDH1A1PGR
SCHEMBL25303983 0.70 FBP1 (0.43) TSHRMAPTMEN1KMT2ALMNA
SCHEMBL14489352 0.70 NR3C1 (0.33) NR3C1CHRM3
SCHEMBL14155056 0.70 MAPT (0.39) EPHX2PPARGMAPTMEN1KMT2A
SCHEMBL379397 0.69 NR3C1 (0.47) NR3C1PGRNR3C2MEP1BCHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280974-B1 STEREOSELECTIVE SYNTHESIS OF CERTAIN TRIFLUOROMETHYL-SUBSTITUTED ALCOHOLS BOEHRINGER INGELHEIM INT (DE) 2012-01-25 EP disclosed
EP-2280974-B1 STEREOSELECTIVE SYNTHESIS OF CERTAIN TRIFLUOROMETHYL-SUBSTITUTED ALCOHOLS BOEHRINGER INGELHEIM INT (DE) 2012-01-25 EP disclosed
US-20110275808-A1 STEREOSELECTIVE SYNTHESIS OF CERTAIN TRIFLUOROMETHYL-SUBSTITUTED ALCOHOLS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 US disclosed
US-20110275808-A1 STEREOSELECTIVE SYNTHESIS OF CERTAIN TRIFLUOROMETHYL-SUBSTITUTED ALCOHOLS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 US disclosed
US-20110275808-A1 STEREOSELECTIVE SYNTHESIS OF CERTAIN TRIFLUOROMETHYL-SUBSTITUTED ALCOHOLS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 US disclosed
EP-2280974-A1 STEREOSELECTIVE SYNTHESIS OF CERTAIN TRIFLUOROMETHYL-SUBSTITUTED ALCOHOLS Boehringer Ingelheim International GmbH (DE) 2011-02-09 EP disclosed
WO-2009134737-A1 STEREOSELECTIVE SYNTHESIS OF CERTAIN TRIFLUOROMETHYL-SUBSTITUTED ALCOHOLS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-05 WO disclosed
WO-2009134737-A1 STEREOSELECTIVE SYNTHESIS OF CERTAIN TRIFLUOROMETHYL-SUBSTITUTED ALCOHOLS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-05 WO 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-20110275808-A1 STEREOSELECTIVE SYNTHESIS OF CERTAIN TRIFLUOROMETHYL-SUBSTITUTED ALCOHOLS ADH1A, ADH1C, ADH5 EPHX2 1000/4885PPARG 2352/4885NR3C1 132/4885

“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.