SCHEMBL10011933

SCHEMBL10011933

C#CCOC(=O)CCC(=O)OCCC#N

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.41
ALDH1A1 P00352 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ADRA2A P08913 1/20 0.35
ADRA1A P35348 1/20 0.35
TSHR P16473 2/20 0.35
MAPT P10636 2/20 0.34
BLM P54132 1/20 0.34
NPC1 O15118 1/20 0.34
EPHX2 P34913 1/20 0.33
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL10012919 0.93 GSTP1 (0.46) GSTP1ALDH1A1TAAR1L3MBTL1TSHR
SCHEMBL10010746 0.93 GSTP1 (0.50) GSTP1ALDH1A1TAAR1L3MBTL1TSHR
SCHEMBL10011544 0.91 GSTP1 (0.49) GSTP1ALDH1A1TAAR1L3MBTL1TSHR
SCHEMBL10012167 0.89 GSTP1 (0.43) GSTP1ALDH1A1TAAR1L3MBTL1ADRA2A
SCHEMBL10012173 0.88 GSTP1 (0.42) GSTP1ALDH1A1TAAR1L3MBTL1ADRA2A
SCHEMBL10011157 0.86 GSTP1 (0.45) GSTP1ALDH1A1TAAR1L3MBTL1TSHR
SCHEMBL10011229 0.86 ADRA2A (0.44) ALDH1A1ADRA2AADRA1ATSHRMAPT
SCHEMBL10011002 0.85 MEN1 (0.34) GSTP1ADRA2AADRA1AMAPTBLM
SCHEMBL10011747 0.84 GSTP1 (0.49) GSTP1ALDH1A1TAAR1L3MBTL1TSHR
SCHEMBL10012635 0.84 GSTP1 (0.45) GSTP1ALDH1A1TAAR1L3MBTL1TSHR

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 GSTP1 3928/4885ALDH1A1 2965/4885TAAR1 1055/4885

“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.