SCHEMBL2831392

SCHEMBL2831392

COc1c(F)c(F)cc(C(=O)OCCCCOC(=O)c2cc(F)c(F)c(OC)c2F)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
TSHR P16473 3/20 0.41
CYP3A4 P08684 2/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
SLC29A1 Q99808 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.40
THPO P40225 1/20 0.40
MTOR P42345 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
MEN1 O00255 1/20 0.39
PMP22 Q01453 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL2834707 0.97 KMT2A (0.51) KMT2ATSHRCYP3A4TP53MAPK1
SCHEMBL2829961 0.94 KMT2A (0.42) KMT2ATSHRSLC29A1ALDH1A1LMNA
SCHEMBL2834029 0.89 KMT2A (0.40) KMT2ATSHRCYP3A4TP53MAPK1
SCHEMBL2832574 0.89 ALDH1A1 (0.47) KMT2ATSHRCYP3A4TP53MAPK1
SCHEMBL2166780 0.88 KMT2A (0.39) KMT2ATSHRCYP3A4TP53MAPK1
SCHEMBL2838580 0.88 KMT2A (0.40) KMT2ATSHRSLC29A1SCN1ASCN2A
SCHEMBL2835048 0.88 KMT2A (0.40) KMT2ATSHRSLC29A1ALDH1A1SCN1A
SCHEMBL2835446 0.86 TSHR (0.44) KMT2ATSHRTP53ALDH1A1LMNA
SCHEMBL28785157 0.84 GAA (0.37) KMT2ATSHRLMNAMEN1L3MBTL1
SCHEMBL2168217 0.84 KMT2A (0.36) KMT2ATSHRCYP3A4TP53MAPK1

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 1023/4885TSHR 3459/4885CYP3A4 2090/4885

“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.