SCHEMBL10012968

SCHEMBL10012968

C#CCCOC(=O)CCCC(=O)OCCC#C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GSTP1 P09211 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 3/20 0.37
ADRA2A P08913 1/20 0.37
ADRA1A P35348 1/20 0.37
DNM1 Q05193 1/20 0.36
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
BLM P54132 1/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL10011989 0.95 DGKA (0.48) DGKAMEN1KMT2AMAPTCYP1A2
SCHEMBL10011861 0.93 CYP1A2 (0.43) DGKAMEN1KMT2AMAPTCYP1A2
SCHEMBL10476478 0.92 CYP1A2 (0.53) DGKAMEN1KMT2AMAPTCYP1A2
SCHEMBL10011692 0.91 MAPT (0.52) DGKAMEN1KMT2AMAPTCYP1A2
SCHEMBL10011577 0.91 ADRA2A (0.44) DGKAMEN1KMT2AMAPTCYP1A2
SCHEMBL10009581 0.88 MEN1 (0.42) DGKAMEN1KMT2AMAPTCYP1A2
SCHEMBL10010053 0.87 MAPT (0.47) DGKAMEN1KMT2AMAPTCYP1A2
SCHEMBL30290959 0.84 CYP1A2 (0.43) DGKAMAPTCYP1A2CYP2D6CYP2C9
SCHEMBL10011687 0.83 MAPT (0.52) DGKAMEN1KMT2AMAPTCYP1A2
SCHEMBL576951 0.83 DGKA (0.45) DGKAMEN1KMT2AMAPTCYP1A2

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-9130244-B2 Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES, LTD. (JP) 2015-09-08 US disclosed
EP-2908376-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME Ube Industries, Ltd. (JP) 2015-08-19 EP disclosed
EP-2479831-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME Ube Industries, Ltd. (JP) 2012-07-25 EP disclosed
US-20120171581-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES, LTD. (JP) 2012-07-05 US 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-20120171581-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME SLC8A1, OR10J3, SLC8B1 DGKA 1127/4885MEN1 2922/4885KMT2A 3003/4885

“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.