SCHEMBL2833915

SCHEMBL2833915

O=C(Oc1ccc(F)cc1)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
ATM Q13315 1/20 0.49
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MEN1 O00255 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.39
TTR P02766 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
FAAH O00519 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
SCHEMBL2356535 0.88 ELANE (0.44) KMT2AATMCA1CA2MEN1
SCHEMBL2834423 0.85 KMT2A (0.44) KMT2AATMCA1CA2MEN1
SCHEMBL532804 0.84 LMNA (0.53) KMT2AATMCA1CA2MEN1
SCHEMBL2835534 0.83 HPGD (0.50) ATMKDM4EALDH1A1HPGDHSD17B10
SCHEMBL28982593 0.82 F2 (0.47) KMT2ACA1CA2KDM4EALDH1A1
SCHEMBL19626821 0.82 CA1 (0.52) KMT2ACA1CA2MEN1ALDH1A1
SCHEMBL22004264 0.81 KMT2A (0.48) KMT2AMEN1KDM4ECYP1A2HPGD
SCHEMBL2834913 0.80 KMT2A (0.47) KMT2AATMMEN1KDM4EALDH1A1
SCHEMBL2833549 0.80 KMT2A (0.54) KMT2AATMMEN1KDM4EALDH1A1
SCHEMBL2220747 0.80 MAPT (0.46) KMT2ACA1CA2MEN1KDM4E

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 1023/4885ATM 3846/4885CA1 115/4885

“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.