SCHEMBL2833600

SCHEMBL2833600

Cc1cc(C)c(OC(=O)c2c(F)cc(F)cc2F)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
GAA P10253 2/20 0.51
TTR P02766 2/20 0.45
RAPGEF4 Q8WZA2 2/20 0.44
ALDH1A1 P00352 5/20 0.33
LMNA P02545 3/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
GLA P06280 1/20 0.32
RAB9A P51151 1/20 0.32
NR1H2 P55055 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
SCHEMBL2834469 0.85 KMT2A (0.37) KMT2AGAATTRRAPGEF4ALDH1A1
SCHEMBL2831149 0.85 KMT2A (0.49) KMT2AGAATTRLMNACES2
SCHEMBL2835266 0.82 KMT2A (0.39) KMT2AGAAALDH1A1CYP3A4MAPT
SCHEMBL2832749 0.79 CES2 (0.49) KMT2AGAAALDH1A1LMNACES2
SCHEMBL2838174 0.79 L3MBTL1 (0.52) KMT2AGAATTRRAPGEF4ALDH1A1
SCHEMBL27267832 0.77 KMT2A (0.45) KMT2AALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL2835375 0.76 KMT2A (0.51) KMT2AGAATTRALDH1A1LMNA
SCHEMBL2838559 0.76 SMN1; SMN2 (0.46) KMT2AGAATTRALDH1A1LMNA
SCHEMBL18697273 0.75 RAPGEF4 (0.37) KMT2AGAARAPGEF4ALDH1A1LMNA
SCHEMBL19626968 0.74 KMT2A (0.45) KMT2AGAATTRLMNACES2

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 990/4885TTR 4678/4885

“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.