SCHEMBL2831048

SCHEMBL2831048

C#CC(C)OC(=O)c1ccc(F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.49
CES1 P23141 2/20 0.49
ALDH1A1 P00352 1/20 0.47
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KLK7 P49862 1/20 0.38
NPC1 O15118 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
SCHEMBL2831207 0.83 CES2 (0.47) CES2CES1ALDH1A1RAB9AL3MBTL1
SCHEMBL2831437 0.81 ADRB2 (0.49) CES2CES1ALDH1A1TDP1MAPT
SCHEMBL2832868 0.81 KMT2A (0.40) CES2CES1ALDH1A1TDP1GAA
SCHEMBL2834996 0.79 ADRB2 (0.47) CES2CES1ALDH1A1RAB9ATDP1
SCHEMBL2831380 0.77 ADRB2 (0.50) CES2CES1ALDH1A1RAB9ATDP1
SCHEMBL30954392 0.75 CES2 (0.68) CES2CES1ALDH1A1RAB9AL3MBTL1
SCHEMBL523258 0.74 CES2 (0.61) CES2CES1ALDH1A1RAB9AL3MBTL1
SCHEMBL14012584 0.74 CES2 (0.61) CES2CES1ALDH1A1RAB9AL3MBTL1
SCHEMBL2834752 0.74 KMT2A (0.43) CES2CES1TDP1MEN1KMT2A
SCHEMBL8359445 0.74 CES2 (0.65) CES2CES1ALDH1A1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263268-B2 Ester compound, and non-aqueous electrolyte solution and lithium secondary battery each using the ester compound UBE INDUSTRIES, LTD. (JP) 2012-09-11 US disclosed
EP-2108640-B1 ESTER COMPOUND, AND NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY EACH USING THE ESTER COMPOUND UBE INDUSTRIES (JP) 2012-07-25 EP disclosed
US-20100119955-A1 ESTER COMPOUND, AND NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY EACH USING THE ESTER COMPOUND UBE INDUSTRIES, LTD. (JP) 2010-05-13 US disclosed
CN-101595082-A Ester cpds, the nonaqueous electrolytic solution that uses this ester cpds and lithium secondary battery UBE INDUSTRIES (JP) 2009-12-02 CN disclosed
EP-2108640-A1 ESTER COMPOUND, AND NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY EACH USING THE ESTER COMPOUND Ube Industries, Ltd. (JP) 2009-10-14 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-20100119955-A1 ESTER COMPOUND, AND NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY EACH USING THE ESTER COMPOUND CEL, LAGE3, PEF1 CES2 87/4885CES1 994/4885ALDH1A1 2511/4885

“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.