SCHEMBL2830665

SCHEMBL2830665

C=C(C)COC(=O)c1c(F)cc(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
GAA P10253 3/20 0.41
THRB P10828 1/20 0.37
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 4/20 0.35
TTR P02766 1/20 0.34
POLB P06746 2/20 0.34
MEN1 O00255 2/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2834884 0.85 KMT2A (0.36) KMT2AGAATHRBALDH1A1RAB9A
SCHEMBL2831819 0.83 KMT2A (0.59) KMT2AGAATHRBALDH1A1RAB9A
SCHEMBL2829940 0.79 RAB9A (0.57) KMT2AGAAALDH1A1RAB9AMAPT
SCHEMBL1994940 0.78 NR1H2 (0.53) KMT2AGAAALDH1A1MAPTMEN1
SCHEMBL2831395 0.78 ESR1 (0.43) KMT2ATHRBALDH1A1RAB9AMAPT
SCHEMBL1346247 0.76 KMT2A (0.35) KMT2AGAATHRBALDH1A1RAB9A
SCHEMBL31590871 0.75 ALDH1A1 (0.47) KMT2AGAAALDH1A1MAPTPOLB
SCHEMBL2836042 0.75 MMP1 (0.43) KMT2AGAAALDH1A1TTRTSHR
SCHEMBL2832607 0.74 LMNA (0.51) KMT2AALDH1A1RAB9AMAPTMEN1
SCHEMBL2831985 0.74 CYP3A4 (0.49) KMT2AGAAALDH1A1MAPTPOLB

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 990/4885THRB 3013/4885

“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.