SCHEMBL10010434

SCHEMBL10010434

N#CCCCOC(=O)CCC(=O)OCCCC#N

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.41
ADRA1A P35348 1/20 0.41
MAPT P10636 1/20 0.40
BLM P54132 1/20 0.40
HTR2C P28335 1/20 0.39
DGKA P23743 1/20 0.39
NAAA Q02083 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
DNM1 Q05193 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
SLC1A2 P43004 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
SCHEMBL10010783 0.93 HTR2C (0.42) ADRA2AADRA1AMAPTBLMHTR2C
SCHEMBL10011990 0.93 DGKA (0.47) ADRA2AADRA1AMAPTBLMHTR2C
SCHEMBL10011654 0.93 DGKA (0.42) ADRA2AADRA1AMAPTBLMHTR2C
SCHEMBL10011707 0.92 NPC1 (0.38) ADRA2AADRA1AMAPTBLMHTR2C
SCHEMBL10011456 0.91 HTR2C (0.44) ADRA2AADRA1AMAPTBLMHTR2C
SCHEMBL10012229 0.91 DGKA (0.50) MAPTHTR2CDGKANAAAMEN1
SCHEMBL10010745 0.91 DGKA (0.45) ADRA2AADRA1AMAPTBLMHTR2C
SCHEMBL10010266 0.88 DGKA (0.34) ADRA2AADRA1AMAPTBLMHTR2C
SCHEMBL10012167 0.87 GSTP1 (0.43) ADRA2AADRA1AMAPTBLMHTR2C
SCHEMBL10010324 0.87 DGKA (0.45) ADRA2AADRA1AMAPTHTR2CDGKA

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 8 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 claimed
EP-2908376-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME Ube Industries, Ltd. (JP) 2015-08-19 EP claimed
EP-2479831-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME Ube Industries, Ltd. (JP) 2012-07-25 EP claimed
US-20120171581-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES, LTD. (JP) 2012-07-05 US claimed
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 ADRA2A 3098/4885ADRA1A 2739/4885MAPT 4867/4885

“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.