SCHEMBL10012136

SCHEMBL10012136

C=CCOC(=O)OC(C)(C)C(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
TSHR P16473 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
DGAT1 O75907 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
ALDH1A1 P00352 1/20 0.30
LMNA P02545 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
SCHEMBL10012845 0.89 TSHR (0.37) MAPTTSHRCACNA1BAPBA1SMN1; SMN2
SCHEMBL10011984 0.86 SMN1; SMN2 (0.36) MAPTTSHRCACNA1BAPBA1DGAT1
SCHEMBL10012425 0.80 TSHR (0.32) TSHRCYP3A4
SCHEMBL372321 0.79 SMN1; SMN2 (0.40) MAPTTSHRCACNA1BAPBA1DGAT1
SCHEMBL23581533 0.77 ALDH1A1 (0.48) MAPTTSHRDGAT1CYP3A4ALDH1A1
SCHEMBL4119963 0.77 DGAT1 (0.34) MAPTTSHRCACNA1BAPBA1DGAT1
Hydrogen Peroxide SCHEMBL28399931 0.77 SMN1; SMN2 (0.40) MAPTTSHRCACNA1BAPBA1DGAT1
SCHEMBL10009626 0.77 TSHR (0.32) TSHRCYP3A4
SCHEMBL28206 0.76
SCHEMBL22851969 0.76 DGAT1 (0.38) DGAT1

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 MAPT 4867/4885TSHR 3669/4885CACNA1B 341/4885

“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.