SCHEMBL2831387

SCHEMBL2831387

C#CC(C)OC(=O)c1cc(F)c(F)c(OC)c1F

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
HSD17B1 P14061 2/20 0.31
HSD17B2 P37059 2/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
ACACB O00763 1/20 0.30

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
SCHEMBL2831142 0.84 NR1H2 (0.34) KMT2AMEN1NR1H2NR1H3HSD17B1
SCHEMBL28420788 0.80 HSD17B1 (0.35) KMT2AMEN1NR1H2NR1H3HSD17B1
SCHEMBL2834004 0.77 NPC1 (0.49) KMT2AMEN1NR1H2NR1H3MAPT
SCHEMBL2831221 0.77 KDM4E (0.45) KMT2AMEN1TDP1NR1H2NR1H3
SCHEMBL2834439 0.77 TSHR (0.39) KMT2AKDM4EALDH1A1MAPTHTT
SCHEMBL2830469 0.75 ELANE (0.47) TDP1NR1H2NR1H3HSD17B1HSD17B2
SCHEMBL2838430 0.75 MEN1 (0.37) KMT2AMEN1TDP1KDM4EALDH1A1
SCHEMBL2831044 0.75 KMT2A (0.36) KMT2AKDM4EALDH1A1MAPTHTT
SCHEMBL2831048 0.74 CES2 (0.49) KMT2AMEN1TDP1ALDH1A1MAPT
SCHEMBL2829961 0.73 KMT2A (0.42) KMT2ANR1H2NR1H3ALDH1A1MAPT

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 1023/4885MEN1 2371/4885TDP1 3303/4885

“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.