SCHEMBL2834690

SCHEMBL2834690

C#CCCOC(=O)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
KMT2A Q03164 5/20 0.45
MEN1 O00255 3/20 0.45
MAPT P10636 2/20 0.45
CASP3 P42574 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
PTPN11 Q06124 1/20 0.43
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
ADRB3 P13945 2/20 0.43
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 2/20 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
SCHEMBL18746585 0.91 MEN1 (0.50) CA12CA1CA2CA9CA14
SCHEMBL2835451 0.90 TDP1 (0.47) CA12CA1CA2CA9CA14
SCHEMBL2835010 0.89 PTPN2 (0.52) CA12CA1CA2CA9CA14
SCHEMBL7876192 0.84 ESR1 (0.61) CA12CA1CA2CA9CA14
SCHEMBL2832918 0.84 CA1 (0.63) CA12CA1CA2CA9CA14
SCHEMBL2908935 0.83 RAB9A (0.49) CA12CA1CA2CA9CA14
SCHEMBL576722 0.82 TDP1 (0.63) KMT2AMEN1LMNATDP1ALDH1A1
SCHEMBL2837797 0.81 CES2 (0.47) KMT2AMEN1PTPN2PTPN1PTPN6
SCHEMBL2833985 0.79 RAB9A (0.50) KMT2AMEN1MAPTTDP1ALDH1A1
SCHEMBL30012749 0.79 KMT2A (0.61) CA1CA2KMT2AMEN1MAPT

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 CA12 71/4885CA1 115/4885CA2 211/4885

“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.