SCHEMBL10012018

SCHEMBL10012018

C#CCOC(=O)OC(C(=O)OCC#C)C(OC(=O)OCC#C)C(=O)OCC#C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
POLB P06746 1/20 0.32
GSTP1 P09211 1/20 0.32
TSHR P16473 1/20 0.31
PKM P14618 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
SCHEMBL10012297 0.88 ACHE (0.36) NPC1SLC1A3SLC1A2SLC1A1CA12
SCHEMBL10010595 0.86 ACHE (0.39) NPC1SLC1A3SLC1A2SLC1A1TSHR
SCHEMBL10010774 0.84 NPC1 (0.32) NPC1SLC1A3SLC1A2SLC1A1TSHR
SCHEMBL10011519 0.84 NPC1 (0.32) NPC1SLC1A3SLC1A2SLC1A1TSHR
SCHEMBL10009952 0.83 NPC1 (0.33) NPC1SLC1A3SLC1A2SLC1A1PKM
SCHEMBL10012204 0.81 NPC1 (0.33) NPC1SLC1A3SLC1A2SLC1A1
SCHEMBL10011587 0.81 NPC1 (0.37) NPC1SLC1A3SLC1A2SLC1A1CA12
SCHEMBL10011944 0.79 NPC1 (0.36) NPC1SLC1A3SLC1A2SLC1A1CA12
SCHEMBL12125084 0.78 NPC1 (0.38) NPC1SLC1A3SLC1A2SLC1A1CA12
SCHEMBL9345481 0.78 NPC1 (0.38) NPC1SLC1A3SLC1A2SLC1A1CA12

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 NPC1 2731/4885SLC1A3 272/4885SLC1A2 195/4885

“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.