SCHEMBL2833547

SCHEMBL2833547

O=C(Oc1ccccc1F)c1c(F)cccc1F

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.70
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
FAAH O00519 2/20 0.47
SLC2A1 P11166 1/20 0.45
SLC2A4 P14672 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
POLB P06746 1/20 0.43
SERPINE1 P05121 1/20 0.43
PARP10 Q53GL7 1/20 0.42
CXCL8 P10145 1/20 0.42
TP53 P04637 1/20 0.42
LMNA P02545 2/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL2834909 0.87 KMT2A (0.55) KMT2AFAAHSLC2A1SLC2A4SMN1; SMN2
SCHEMBL2833913 0.86 KMT2A (0.54) KMT2ACES2CES1FAAHSLC2A1
SCHEMBL2838181 0.85 KMT2A (0.67) KMT2ACES2CES1SLC2A1SLC2A4
SCHEMBL2834420 0.82 KMT2A (0.50) KMT2AFAAHSLC2A1SLC2A4SMN1; SMN2
SCHEMBL11816195 0.82 KMT2A (0.57) KMT2ACES2CES1FAAHSMN1; SMN2
SCHEMBL2830639 0.80 KMT2A (0.65) KMT2ACES2CES1SLC2A1SLC2A4
SCHEMBL2838742 0.80 SLC2A1 (0.57) KMT2ACES2CES1SLC2A1SLC2A4
SCHEMBL2834432 0.80 KMT2A (0.56) KMT2ACES2CES1ALDH1A1MAPT
SCHEMBL2833886 0.80 KMT2A (0.56) KMT2ACES2CES1SMN1; SMN2ALDH1A1
SCHEMBL1323923 0.80 KMT2A (0.63) KMT2AFAAHSLC2A1SLC2A4SMN1; SMN2

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 1023/4885CES2 87/4885CES1 994/4885

“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.