SCHEMBL10012938

SCHEMBL10012938

[CH2]C(C)C(=O)OCCC#N

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 3/20 0.32
DPP4 P27487 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL12390085 0.83 MEN1 (0.38) MEN1KMT2ATSHRDPP4ALDH1A1
SCHEMBL19116973 0.83 MEN1 (0.38) MEN1KMT2ATSHRDPP4ALDH1A1
SCHEMBL10012557 0.80 MEN1 (0.34) MEN1KMT2ATSHRDPP4
SCHEMBL10011009 0.80 MEN1 (0.34) MEN1KMT2ATSHRDPP4
SCHEMBL19117251 0.79 MEN1 (0.36) MEN1KMT2ATSHRDPP4
SCHEMBL13113046 0.79 MEN1 (0.36) MEN1KMT2ATSHRDPP4
SCHEMBL10176903 0.78 MEN1 (0.39) MEN1KMT2ATSHRDPP4ALDH1A1
SCHEMBL10011415 0.78 TSHR (0.40) MEN1KMT2ATSHRDPP4
SCHEMBL10010649 0.78 TSHR (0.35) MEN1KMT2ATSHRDPP4
SCHEMBL10033495 0.78 MEN1 (0.39) MEN1KMT2ATSHRDPP4ALDH1A1

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 6 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
CN-104795595-A Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES 2015-07-22 CN disclosed
CN-102498605-B Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES 2015-05-20 CN 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 MEN1 2922/4885KMT2A 3003/4885TSHR 3669/4885

“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.