SCHEMBL10012946

SCHEMBL10012946

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.33
CYP3A4 P08684 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 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
SCHEMBL8732985 0.80 TDP1 (0.44) TDP1TSHRNPSR1CYP3A4PKM
SCHEMBL10011565 0.77 TDP1 (0.41) TDP1TSHRNPSR1CYP3A4PKM
SCHEMBL13324132 0.77 TDP1 (0.38) TDP1TSHRNPSR1CYP3A4PKM
SCHEMBL10010689 0.77 TSHR (0.45) TDP1TSHRNPSR1CYP3A4PKM
SCHEMBL16653509 0.77 MAPT (0.41) TDP1TSHRNPSR1CYP3A4PKM
SCHEMBL10012120 0.76
SCHEMBL17466214 0.76 TDP1 (0.37) TDP1TSHRNPSR1CYP3A4PKM
SCHEMBL10011560 0.76 TDP1 (0.41) TDP1TSHRNPSR1CYP3A4PKM
SCHEMBL10011238 0.76 TSHR (0.44) TDP1TSHRNPSR1CYP3A4PKM
SCHEMBL10012776 0.76 TDP1 (0.41) TDP1TSHRNPSR1CYP3A4PKM

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 TDP1 4475/4885TSHR 3669/4885NPSR1 1933/4885

“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.