SCHEMBL10012381

SCHEMBL10012381

CCP(=O)(CC)OC(CC(=O)OC)C(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
MMP1 P03956 2/20 0.32
MMP2 P08253 2/20 0.32
CA12 O43570 1/20 0.32
MMP8 P22894 1/20 0.32
CA9 Q16790 1/20 0.32
TSHR P16473 4/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 2/20 0.32
ALOX15 P16050 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
MMP3 P08254 1/20 0.32
HSD17B10 Q99714 2/20 0.31
CHRM1 P11229 1/20 0.31
ADORA1 P30542 1/20 0.31
MGAM O43451 2/20 0.30
GAA P10253 2/20 0.30
SI P14410 2/20 0.30
MGAM2 Q2M2H8 2/20 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
SCHEMBL10011745 0.81 TSHR (0.34) TSHRALDH1A1CYP3A4ALOX15TDP1
SCHEMBL10011444 0.80 TSHR (0.42) CA1CA2CA12CA9TSHR
SCHEMBL10011540 0.80 TSHR (0.33) TSHRALDH1A1CYP3A4ALOX15TDP1
SCHEMBL10012547 0.79 TSHR (0.39) CA1CA2CA12CA9TSHR
SCHEMBL10011860 0.79 ALDH1A1 (0.45) TSHRALDH1A1CYP3A4ALOX15TDP1
SCHEMBL10010794 0.79 ACHE (0.34) TSHRALDH1A1CYP3A4ALOX15TDP1
SCHEMBL2648364 0.74 TSHR (0.42) CA1CA2CA12TSHRHSD17B10
SCHEMBL5507844 0.74 TSHR (0.42) CA1CA2CA12TSHRHSD17B10
SCHEMBL10011503 0.73
SCHEMBL10012251 0.73 MGAM (0.39) CA1CA2TSHRALDH1A1CYP3A4

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 CA1 106/4885CA2 14/4885MMP1 3146/4885

“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.