SCHEMBL10012964

SCHEMBL10012964

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 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 6/20 0.36
MAPT P10636 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
ALDH1A1 P00352 4/20 0.33
HSD17B10 Q99714 2/20 0.33
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PKM P14618 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SNCA P37840 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
APP P05067 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
SCHEMBL10010633 0.88 TDP1 (0.39) CYP3A4TDP1TSHRMAPTCACNA1B
SCHEMBL10010692 0.86 CYP3A4 (0.35) CYP3A4TDP1TSHRMAPTCACNA1B
SCHEMBL10011913 0.86 TDP1 (0.38) CYP3A4TDP1TSHRMAPTCACNA1B
SCHEMBL10011519 0.84 NPC1 (0.32) CYP3A4TDP1TSHRMAPTCACNA1B
SCHEMBL10010774 0.84 NPC1 (0.32) CYP3A4TDP1TSHRMAPTCACNA1B
SCHEMBL10011640 0.83 TDP1 (0.36) CYP3A4TDP1TSHRMAPTCACNA1B
SCHEMBL10012821 0.81 TSHR (0.41) CYP3A4TDP1TSHRMAPTCACNA1B
SCHEMBL13324133 0.81 TSHR (0.43) CYP3A4TDP1TSHRMAPTCACNA1B
SCHEMBL2639414 0.80 TDP1 (0.46) CYP3A4TDP1TSHRMAPTCACNA1B
SCHEMBL10012268 0.79 TDP1 (0.42) 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 CYP3A4 3038/4885TDP1 4475/4885TSHR 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.