SCHEMBL14101267

SCHEMBL14101267

CC(C)(C)OC(=O)COCCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
IDO1 P14902 1/20 0.40
PTPN1 P18031 1/20 0.40
AKT1 P31749 2/20 0.40
ALOX5 P09917 1/20 0.40
POLB P06746 1/20 0.40
FFAR1 O14842 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL29173276 0.97 TDP1 (0.44) TDP1CA12CA1CA7CA14
SCHEMBL15236837 0.91 LMNA (0.47) TDP1L3MBTL1ALDH1A1IDO1POLB
SCHEMBL710382 0.89 L3MBTL1 (0.47) TDP1L3MBTL1POLBFFAR1
SCHEMBL16346406 0.86 L3MBTL1 (0.52) CA12CA1CA7CA14L3MBTL1
SCHEMBL3590948 0.86 TDP1 (0.49) TDP1CA12CA1CA7CA14
SCHEMBL17593417 0.84 PPARD (0.41) L3MBTL1ALDH1A1CTSSCTSKIDO1
SCHEMBL4610750 0.84 CYP17A1 (0.43)
SCHEMBL20534920 0.84 L3MBTL1 (0.51) CA12CA1CA7CA14L3MBTL1
SCHEMBL22326308 0.84 L3MBTL1 (0.51) CA12CA1CA7CA14L3MBTL1
SCHEMBL25533030 0.84 L3MBTL1 (0.51) CA12CA1CA7CA14L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2869389-B1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTIC SOLUTION CELL USING SAME MITSUBISHI CHEM CORP (JP) 2019-11-13 EP disclosed
US-10320030-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2019-06-11 US disclosed
US-20150140448-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2015-05-21 US disclosed
EP-2869389-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTIC SOLUTION CELL USING SAME Mitsubishi Chemical Corporation (JP) 2015-05-06 EP disclosed
US-20140107135-A1 PYRIMIDINONE INHIBITORS OF LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 AUSPEX PHARMACEUTICALS, INC. (US) 2014-04-17 US disclosed
WO-2008096093-A1 OXAZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LTD. (GB) 2008-08-14 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-20140107135-A1 PYRIMIDINONE INHIBITORS OF LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 PLA2G1B, PLA2G4A, PLA2G4B TDP1 784/4885CA12 4745/4885CA1 4621/4885

“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.