SCHEMBL2838580

SCHEMBL2838580

C#CCCCOC(=O)c1cc(F)c(F)c(OC)c1F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
MAOB P27338 4/20 0.35
MAOA P21397 1/20 0.35
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
NPC1 O15118 1/20 0.34
SLC29A1 Q99808 2/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL2834029 0.96 KMT2A (0.40) KMT2AMAOBMAOASLC29A1TSHR
SCHEMBL2831392 0.88 KMT2A (0.47) KMT2ASCN1ASCN2ASCN3ASLC29A1
SCHEMBL2834707 0.88 KMT2A (0.51) KMT2ASCN1ASCN2ASCN3ASLC29A1
SCHEMBL2834004 0.85 NPC1 (0.49) KMT2ANPC1GAATSHRL3MBTL1
SCHEMBL2829961 0.85 KMT2A (0.42) KMT2ASCN1ASCN2ASCN3ASLC29A1
SCHEMBL2832574 0.81 ALDH1A1 (0.47) KMT2ATSHRTDP1L3MBTL1
SCHEMBL2835048 0.80 KMT2A (0.40) KMT2ASCN1ASCN2ASCN3ANPC1
SCHEMBL2838554 0.78 NPC1 (0.36) KMT2ANPC1GAATSHRL3MBTL1
SCHEMBL2835446 0.78 TSHR (0.44) KMT2ANPC1TSHRTDP1L3MBTL1
SCHEMBL2166780 0.78 KMT2A (0.39) KMT2ASCN1ASCN2ASCN3ASLC29A1

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 KMT2A 1023/4885MAOB 1969/4885MAOA 3776/4885

“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.