SCHEMBL2833508

SCHEMBL2833508

C#CC(C)(C)OC(=O)c1ccc(F)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.69
RAB9A P51151 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NPC1 O15118 3/20 0.42
MAPT P10636 3/20 0.42
MAPK1 P28482 2/20 0.42
HTT P42858 1/20 0.42
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
ADRB3 P13945 2/20 0.42
ANO1 Q5XXA6 1/20 0.42
ATM Q13315 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
CYP1A2 P05177 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CASP3 P42574 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
SENP7 Q9BQF6 1/20 0.39

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
SCHEMBL26520508 0.82 ELANE (0.68) ELANERAB9AMEN1KMT2ANPC1
SCHEMBL2833412 0.81 ELANE (0.54) ELANERAB9AMEN1KMT2ANPC1
SCHEMBL17148179 0.80 CA1 (0.53) ELANERAB9AMEN1KMT2ANPC1
SCHEMBL210873 0.80 CA1 (0.53) ELANERAB9AMEN1KMT2ANPC1
SCHEMBL2831018 0.79 CES2 (0.49) ELANERAB9AMEN1KMT2ANPC1
SCHEMBL30823609 0.75 RAB9A (0.45) ELANERAB9AMEN1KMT2ANPC1
SCHEMBL2838163 0.75 ELANE (0.46) ELANEKMT2AADRB2ADRB1ADRB3
SCHEMBL2837832 0.75 ADRB2 (0.50) ELANERAB9AKMT2ANPC1MAPT
SCHEMBL2838731 0.75 ELANE (0.50) ELANERAB9AKMT2ANPC1MAPT
SCHEMBL11324290 0.74 ELANE (0.61) ELANERAB9AMEN1KMT2ANPC1

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 5 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
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 ELANE 11/4885RAB9A 643/4885MEN1 2371/4885

“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.