SCHEMBL2834015

SCHEMBL2834015

C=COC(=O)c1cc(F)c(F)c(OCC)c1F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 2/20 0.33
KMT2A Q03164 1/20 0.32
LMNA P02545 2/20 0.32
THRB P10828 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL2832506 0.84 NR1H2 (0.34) ALDH1A1KDM4EKMT2A
SCHEMBL2835123 0.83 CYP3A4 (0.45) ALDH1A1MAPTKDM4ETSHRKMT2A
SCHEMBL27500870 0.80 CES2 (0.36) KDM4ESMN1; SMN2
SCHEMBL8593509 0.79 TSHR (0.44) ALDH1A1MAPTHTTKDM4ETSHR
SCHEMBL11947931 0.78 CES2 (0.30)
SCHEMBL2832831 0.76 NPC1 (0.46) ALDH1A1MAPTHTTTSHRKMT2A
SCHEMBL2835084 0.75 HPGD (0.43) ALDH1A1MAPTKDM4EKMT2ALMNA
SCHEMBL29007771 0.74 MAPT (0.35) ALDH1A1MAPTHTTKDM4ETSHR
SCHEMBL2834985 0.74 LMNA (0.43) ALDH1A1MAPTKMT2ALMNATHRB
SCHEMBL27864040 0.73 SOS1 (0.35) TSHRSMN1; 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 ALDH1A1 2511/4885MAPT 3532/4885HTT 3887/4885

“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.