SCHEMBL2834469

SCHEMBL2834469

Cc1cc(C)c(OC(=O)c2c(F)cc(F)c(F)c2F)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.37
GAA P10253 2/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
RAPGEF4 Q8WZA2 2/20 0.35
MEN1 O00255 5/20 0.35
GFER P55789 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TTR P02766 2/20 0.34
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 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
SCHEMBL2835266 0.88 KMT2A (0.39) KMT2AGAACA1CA2MEN1
SCHEMBL2833600 0.85 KMT2A (0.51) KMT2AGAARAPGEF4MEN1TTR
SCHEMBL27267832 0.82 KMT2A (0.45) KMT2AMEN1GFERSMN1; SMN2CRHBP
SCHEMBL2831149 0.80 KMT2A (0.49) KMT2AGAATTRCES2CES1
SCHEMBL2838577 0.80 L3MBTL1 (0.48) KMT2AMEN1GFERSMN1; SMN2MAPK1
SCHEMBL19360855 0.78 CA1 (0.43) KMT2AGAACA1CA2CA4
SCHEMBL19360020 0.78 CA1 (0.43) KMT2AGAACA1CA2CA4
SCHEMBL19360821 0.77 CA1 (0.39) KMT2AGAACA1CA2CA4
SCHEMBL2832840 0.77 LMNA (0.47) KMT2AGAAMEN1SMN1; SMN2ALDH1A1
SCHEMBL19360006 0.76 KMT2A (0.36) KMT2AGAACA1CA2CA4

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 KMT2A 1023/4885GAA 990/4885CA1 115/4885

“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.