SCHEMBL10012934

SCHEMBL10012934

C#CCCCC(=O)OCCCC#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.39
CNR2 P34972 1/20 0.39
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
MAPT P10636 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
DGKA P23743 1/20 0.36
GSTP1 P09211 1/20 0.34
CYP3A4 P08684 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
DNM1 Q05193 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL10012819 0.95 MAPT (0.44) CNR1CNR2CYP1A2CYP2D6MAPT
SCHEMBL10010326 0.95 CNR1 (0.41) CNR1CNR2CYP1A2CYP2D6MAPT
SCHEMBL10012948 0.91 MAPT (0.44) CNR1CNR2CYP1A2CYP2D6MAPT
SCHEMBL10011071 0.91 MAPT (0.34) CNR1CNR2CYP1A2CYP2D6MAPT
SCHEMBL10010949 0.91 CYP1A2 (0.38) CNR1CNR2CYP1A2CYP2D6MAPT
SCHEMBL10011990 0.87 DGKA (0.47) MAPTDGKACYP3A4MEN1ALDH1A1
SCHEMBL10011654 0.87 DGKA (0.42) CYP1A2MAPTCYP2C9CYP2C19DGKA
SCHEMBL30290959 0.87 CYP1A2 (0.43) CNR1CNR2CYP1A2CYP2D6MAPT
SCHEMBL10011747 0.86 GSTP1 (0.49) CNR1CNR2CYP1A2CYP2D6MAPT
SCHEMBL10012635 0.86 GSTP1 (0.45) CNR1CNR2MAPTDGKAGSTP1

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 CNR1 889/4885CNR2 1204/4885CYP1A2 3415/4885

“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.