SCHEMBL2838574

SCHEMBL2838574

Cc1cccc(OC(=O)c2c(F)cc(F)c(F)c2F)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
KMT2A Q03164 6/20 0.48
MAPT P10636 3/20 0.47
TP53 P04637 1/20 0.42
LMNA P02545 2/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 4/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
SLC2A1 P11166 1/20 0.37
SLC2A4 P14672 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL2832842 0.88 KMT2A (0.47) POLBKMT2ATP53LMNAL3MBTL1
SCHEMBL2832512 0.88 POLB (0.56) POLBKMT2AMAPTTP53LMNA
SCHEMBL2838172 0.87 KMT2A (0.52) POLBKMT2AMAPTTP53LMNA
SCHEMBL2830639 0.84 KMT2A (0.65) POLBKMT2AMAPTTP53LMNA
SCHEMBL2834420 0.80 KMT2A (0.50) KMT2AMAPTLMNAL3MBTL1SLC2A1
SCHEMBL2838577 0.78 L3MBTL1 (0.48) KMT2AMAPTTP53L3MBTL1MEN1
SCHEMBL2834922 0.77 POLB (0.46) POLBKMT2AMAPTTP53LMNA
SCHEMBL2835054 0.77 POLB (0.51) POLBKMT2AMAPTLMNARAB9A
SCHEMBL2833933 0.76 KMT2A (0.57) POLBKMT2AMAPTLMNAMEN1
SCHEMBL18697276 0.76 POLB (0.56) POLBKMT2AMAPTLMNARAB9A

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 POLB 398/4885KMT2A 1023/4885MAPT 3532/4885

“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.