SCHEMBL10011136

SCHEMBL10011136

N#CCCCCCOC(=O)CCCC(=O)OCCCCCC#N

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.44
HTR2C P28335 1/20 0.40
NAAA Q02083 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
DNM1 Q05193 1/20 0.37
NOD1 Q9Y239 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.34
RAD52 P43351 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
FAAH O00519 1/20 0.33
LMNA P02545 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
SCHEMBL10009704 0.98 DGKA (0.41) DGKAHTR2CNAAAPRSS1PRSS2
SCHEMBL10010268 0.96 DGKA (0.48) DGKAHTR2CNAAAPRSS1PRSS2
SCHEMBL10012228 0.96 DGKA (0.48) DGKAHTR2CNAAAPRSS1PRSS2
SCHEMBL10010832 0.94 DGKA (0.45) DGKAHTR2CNAAAPRSS1PRSS2
SCHEMBL10011456 0.94 HTR2C (0.44) DGKAHTR2CNAAAPRSS1PRSS2
SCHEMBL10010324 0.94 DGKA (0.45) DGKAHTR2CNAAAPRSS1PRSS2
SCHEMBL10011140 0.93 NPC1 (0.44) DGKAHTR2CNAAAPRSS1PRSS2
SCHEMBL10010783 0.92 HTR2C (0.42) DGKAHTR2CNAAAPRSS1PRSS2
SCHEMBL10011654 0.92 DGKA (0.42) DGKAHTR2CNAAAPRSS1PRSS2
SCHEMBL10011317 0.91 NPC1 (0.46) DGKANOD1NPC1MAPTALDH1A1

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 1127/4885HTR2C 4497/4885NAAA 1917/4885

“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.