SCHEMBL10012489

SCHEMBL10012489

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
TSHR P16473 4/20 0.44
CYP3A4 P08684 2/20 0.44
ALOX15 P16050 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CHRM1 P11229 1/20 0.43
ADORA1 P30542 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
TRPA1 O75762 1/20 0.35
CYP2D6 P10635 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 2/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
POLB P06746 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
SCHEMBL10011169 0.86 ALDH1A1 (0.51) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL10011120 0.84 ALDH1A1 (0.37) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL10011090 0.83 TSHR (0.44) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL10012371 0.83 TSHR (0.40) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL10012519 0.82 ALDH1A1 (0.46) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL10009608 0.82 TSHR (0.33) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL10010480 0.82 TSHR (0.39) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL10012247 0.82 ACHE (0.35) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL10012048 0.82 HTT (0.39) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL10012547 0.81 TSHR (0.39) ALDH1A1TSHRCYP3A4ALOX15TDP1

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 ALDH1A1 2965/4885TSHR 3669/4885CYP3A4 3038/4885

“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.