SCHEMBL2838430

SCHEMBL2838430

C#CC(C)OC(=O)c1c(F)cc(F)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA4 P22748 2/20 0.35
CA12 O43570 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL2832868 0.85 KMT2A (0.40) MEN1KMT2ATDP1CA1CA2
SCHEMBL2838186 0.84 MEN1 (0.35) MEN1KMT2ATDP1CA1CA2
SCHEMBL2838527 0.83 CA1 (0.34) CA1CA2CA4CA12CA7
SCHEMBL2834752 0.79 KMT2A (0.43) MEN1KMT2ATDP1CA1CA2
SCHEMBL2831387 0.75 KMT2A (0.33) MEN1KMT2ATDP1KDM4EALDH1A1
SCHEMBL2831048 0.73 CES2 (0.49) MEN1KMT2ATDP1ALDH1A1MAPT
SCHEMBL2831437 0.72 ADRB2 (0.49) MEN1KMT2ATDP1ALDH1A1MAPT
SCHEMBL2831955 0.71 NPC1 (0.49) CA1CA2CA4CA12CA9
SCHEMBL1998427 0.71 MAPT (0.47) TDP1CA1CA2CA4CA12
SCHEMBL2831838 0.71 ELANE (0.45) CA1CA2CA4

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 4 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
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 MEN1 2371/4885KMT2A 1023/4885TDP1 3303/4885

“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.