SCHEMBL10011326

SCHEMBL10011326

COCCOC(=O)CC(OC=O)C(=O)OCCOC

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.35
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.31
CYP3A4 P08684 2/20 0.31
ALOX15 P16050 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
CHRM1 P11229 1/20 0.30
ADORA1 P30542 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL10012012 0.83 ALDH1A1 (0.43) METTSHRALDH1A1HSD17B10
SCHEMBL10011088 0.77
SCHEMBL10012155 0.77 ALDH1A1 (0.42) TSHRALDH1A1CYP3A4ALOX15TDP1
SCHEMBL10011127 0.76
SCHEMBL10011622 0.75 CA12 (0.35) TSHRALDH1A1CYP3A4ALOX15TDP1
SCHEMBL10012410 0.75 ALDH1A1 (0.36) TSHRALDH1A1CYP3A4ALOX15TDP1
SCHEMBL10010214 0.74 TSHR (0.36) TSHRCA12CA1CA2CA9
SCHEMBL10012399 0.74 TSHR (0.36) TSHRHSD17B10
SCHEMBL813422 0.74 TSHR (0.42) METTSHRALDH1A1CYP3A4ALOX15
SCHEMBL813362 0.73 DGKA (0.37) TSHRALDH1A1

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 MET 2836/4885TSHR 3669/4885ALDH1A1 2965/4885

“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.