SCHEMBL2835110

SCHEMBL2835110

C=CCCOC(=O)c1cc(F)c(F)c(OC)c1F

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
SLC29A1 Q99808 1/20 0.32
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL2835048 0.92 KMT2A (0.40) KMT2ATSHRMEN1NPC1ATM
SCHEMBL2829961 0.87 KMT2A (0.42) KMT2ANR1H2NR1H3TSHRUSP2
SCHEMBL2834377 0.86 CYP3A4 (0.47) KMT2ATSHRCYP3A4MEN1NPC1
SCHEMBL2834707 0.84 KMT2A (0.51) KMT2ATSHRCYP3A4MEN1L3MBTL1
SCHEMBL2831392 0.84 KMT2A (0.47) KMT2ATSHRCYP3A4MEN1L3MBTL1
SCHEMBL2832574 0.83 ALDH1A1 (0.47) KMT2ATSHRCYP3A4L3MBTL1KDM4E
SCHEMBL2835446 0.80 TSHR (0.44) KMT2ATSHRMEN1NPC1ATM
SCHEMBL28785157 0.79 GAA (0.37) KMT2ANR1H2NR1H3TSHRMEN1
SCHEMBL2832506 0.79 NR1H2 (0.34) KMT2ANR1H2NR1H3MEN1KDM4E
SCHEMBL12340228 0.78 KMT2A (0.36) KMT2ANR1H2NR1H3TSHRCYP3A4

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 1023/4885NR1H2 3499/4885NR1H3 3239/4885

“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.