SCHEMBL2835358

SCHEMBL2835358

CCC(O)CO.COc1c(F)c(F)cc(C(=O)O)c1F.COc1c(F)c(F)cc(C(=O)O)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.35
MAPK1 P28482 4/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
STING1 Q86WV6 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32

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
Propylene Glycol SCHEMBL2834441 0.89 HSD17B10 (0.36) HSD17B10MAPK1KDM4EMEN1KMT2A
Ethylene Glycol SCHEMBL2829965 0.85 HSD17B10 (0.40) HSD17B10MAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL607945 0.85 HSD17B10 (0.44) HSD17B10MAPK1KDM4EMEN1KMT2A
SCHEMBL2831144 0.84 HSD17B10 (0.39) HSD17B10MAPK1KDM4EMEN1KMT2A
SCHEMBL27927680 0.83 HSD17B10 (0.43) HSD17B10MAPK1KDM4EMEN1KMT2A
1,3-Propanediol SCHEMBL2834709 0.82 HSD17B10 (0.38) HSD17B10MAPK1MEN1KMT2ASMN1; SMN2
1,4-Butanediol SCHEMBL2831393 0.82 HSD17B10 (0.38) HSD17B10MAPK1KDM4EMEN1KMT2A
1,3-Butanediol SCHEMBL2831047 0.82 HSD17B10 (0.34) HSD17B10MAPK1KDM4EMEN1KMT2A
Methylene Chloride SCHEMBL28420789 0.82 HSD17B10 (0.40) HSD17B10MAPK1KDM4EMEN1KMT2A
SCHEMBL2838557 0.81 HSD17B10 (0.37) HSD17B10MAPK1MEN1KMT2ASMN1; 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 HSD17B10 254/4885MAPK1 1913/4885KDM4E 821/4885

“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.