SCHEMBL10011519

SCHEMBL10011519

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
TSHR P16473 1/20 0.30
MAPT P10636 1/20 0.30
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 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
SCHEMBL10010774 0.93 NPC1 (0.32) NPC1CYP3A4TDP1SLC1A3SLC1A2
SCHEMBL10011712 0.84 TDP1 (0.36) NPC1CYP3A4TDP1TSHR
SCHEMBL10012964 0.84 CYP3A4 (0.38) CYP3A4TDP1TSHRMAPTCACNA1B
SCHEMBL10012018 0.84 NPC1 (0.38) NPC1SLC1A3SLC1A2SLC1A1TSHR
SCHEMBL14141607 0.82 NPC1 (0.37) NPC1CYP3A4TDP1TSHRMAPT
SCHEMBL10012204 0.78 NPC1 (0.33) NPC1SLC1A3SLC1A2SLC1A1
SCHEMBL10011763 0.78 TDP1 (0.36) NPC1CYP3A4TDP1TSHR
SCHEMBL10012297 0.77 ACHE (0.36) NPC1CYP3A4SLC1A3SLC1A2SLC1A1
SCHEMBL10011913 0.75 TDP1 (0.38) NPC1CYP3A4TDP1TSHRMAPT
SCHEMBL10010692 0.75 CYP3A4 (0.35) CYP3A4TDP1TSHRMAPTCACNA1B

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 2731/4885CYP3A4 3038/4885TDP1 4475/4885

“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.