SCHEMBL2834909

SCHEMBL2834909

O=C(Oc1ccccc1F)c1c(F)cc(F)cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
GAA P10253 1/20 0.45
FAAH O00519 3/20 0.43
SERPINE1 P05121 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SLC2A1 P11166 1/20 0.42
SLC2A4 P14672 1/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PARP10 Q53GL7 1/20 0.39
CXCL8 P10145 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
CYP1A2 P05177 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL2833547 0.87 KMT2A (0.70) KMT2AFAAHSERPINE1SLC2A1SLC2A4
SCHEMBL2835378 0.85 KMT2A (0.51) KMT2AGAASERPINE1L3MBTL1KDM4E
SCHEMBL2834420 0.84 KMT2A (0.50) KMT2AFAAHSERPINE1L3MBTL1KDM4E
SCHEMBL2833913 0.81 KMT2A (0.54) KMT2AGAAFAAHSERPINE1L3MBTL1
SCHEMBL2831240 0.81 CES2 (0.53) KMT2AGAAFAAHL3MBTL1KDM4E
SCHEMBL2838650 0.80 NSD2 (0.51) KMT2AGAAKDM4ENPSR1TDP1
SCHEMBL2838172 0.79 KMT2A (0.52) KMT2AGAAL3MBTL1NPSR1SLC2A1
SCHEMBL19626968 0.79 KMT2A (0.45) KMT2AGAAKDM4ESLC2A1SLC2A4
SCHEMBL2834913 0.78 KMT2A (0.47) KMT2AGAAKDM4EMAPTALDH1A1
SCHEMBL2838570 0.78 KMT2A (0.52) KMT2AGAAFAAHSERPINE1L3MBTL1

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 990/4885FAAH 1979/4885

“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.