SCHEMBL2834467

SCHEMBL2834467

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
GAA P10253 1/20 0.37
SERPINE1 P05121 3/20 0.33
ERN1 O75460 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP12 P39900 1/20 0.32
ESR1 P03372 1/20 0.32
CYP3A4 P08684 1/20 0.32
TTR P02766 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
THRB P10828 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
SCHEMBL2834534 0.90 ALDH1A1 (0.39) KMT2AGAASERPINE1ERN1POLB
SCHEMBL2832910 0.85 ESR1 (0.37) SERPINE1KDM4EESR1CYP3A4ALDH1A1
SCHEMBL2835126 0.83 KMT2A (0.50) KMT2APOLBKDM4ECYP3A4CES2
SCHEMBL2831985 0.83 CYP3A4 (0.49) KMT2AGAAERN1POLBTSHR
SCHEMBL2832589 0.80 RAB9A (0.49) KMT2AGAASERPINE1POLBTSHR
SCHEMBL2833921 0.79 ESR1 (0.46) TSHRMAPK1KDM4EESR1CYP3A4
SCHEMBL31590871 0.77 ALDH1A1 (0.47) KMT2AGAAPOLBTSHRKDM4E
SCHEMBL2834449 0.76 ESR1 (0.42) KMT2ASERPINE1ESR1ALDH1A1L3MBTL1
SCHEMBL31590766 0.75 ESR1 (0.58) TSHRMAPK1ESR1CYP3A4L3MBTL1
SCHEMBL2833613 0.75 KMT2A (0.45) KMT2ATSHRKDM4EESR1CYP3A4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101595082-B Ester compound, and non-aqueous electrolyte solution and lithium secondary battery each using the ester compound UBE INDUSTRIES 2013-08-21 CN disclosed
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
CN-101595082-A Ester cpds, the nonaqueous electrolytic solution that uses this ester cpds and lithium secondary battery UBE INDUSTRIES (JP) 2009-12-02 CN 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 990/4885SERPINE1 4479/4885

“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.