SCHEMBL10010053

SCHEMBL10010053

C#CCCCCOC(=O)CCCC(=O)OCCCCC#C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
DGKA P23743 1/20 0.41
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
GSTP1 P09211 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HTR2C P28335 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
NAAA Q02083 1/20 0.36
NPC1 O15118 1/20 0.36
ALOX5 P09917 3/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL10011687 0.96 MAPT (0.52) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10476535 0.94 MAPT (0.48) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10010061 0.93 CYP1A2 (0.60) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL30290959 0.89 CYP1A2 (0.43) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10011690 0.89 CYP1A2 (0.66) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10011692 0.88 MAPT (0.52) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL24588849 0.87 MAPT (0.48) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL31171914 0.87 CYP1A2 (0.48) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10010326 0.87 CNR1 (0.41) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL31376705 0.87 MAPT (0.48) MAPTCYP1A2CYP2D6CYP2C9CYP2C19

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 MAPT 4867/4885CYP1A2 3415/4885CYP2D6 2905/4885

“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.