SCHEMBL2832607

SCHEMBL2832607

C=C(C)COC(=O)c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
KMT2A Q03164 3/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
CASP3 P42574 1/20 0.50
TRPV1 Q8NER1 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
ADRB2 P07550 2/20 0.48
ADRB1 P08588 2/20 0.48
ADRB3 P13945 2/20 0.48
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.44
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
MAPK1 P28482 3/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42

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
SCHEMBL1002049 0.91 MAPK1 (0.50) LMNAKMT2AMAPTMEN1ALDH1A1
SCHEMBL24112452 0.85 LMNA (0.54) LMNAKMT2AMAPTMEN1CASP3
SCHEMBL10870309 0.84 MAPK1 (0.45) LMNAMAPTALDH1A1KDM4ECYP1A2
SCHEMBL17231742 0.84 MAPK1 (0.62) LMNAKMT2AMAPTMEN1ALDH1A1
SCHEMBL27709389 0.84 MAPT (0.51) LMNAMAPTALDH1A1KDM4ECYP1A2
SCHEMBL6354305 0.81 RAB9A (0.57) LMNAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL2835091 0.80 NPC1 (0.54) LMNAKMT2AMEN1ADRB2ADRB1
SCHEMBL9127865 0.79 LMNA (0.55) LMNAKMT2AMAPTMEN1CASP3
SCHEMBL6283630 0.79 KDM4E (0.66) LMNAMAPTALDH1A1KDM4ERAB9A
SCHEMBL9181209 0.79 RAB9A (0.63) LMNAKMT2AMAPTMEN1ALDH1A1

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 LMNA 1322/4885KMT2A 1023/4885MAPT 3532/4885

“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.