SCHEMBL10012609

SCHEMBL10012609

CC(C)(C#N)COC(=O)CCCCCCC(=O)OCC(C)(C)C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.42
TSHR P16473 2/20 0.41
PAM P19021 2/20 0.39
MAPT P10636 1/20 0.37
LMNA P02545 3/20 0.36
ALDH1A1 P00352 3/20 0.36
DNM1 Q05193 1/20 0.36
KDM4E B2RXH2 1/20 0.35
DUSP3 P51452 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
PRKCA P17252 1/20 0.33
PRKCE Q02156 1/20 0.33
PRKCQ Q04759 1/20 0.33
PRKCD Q05655 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL10012816 0.98 DGKA (0.39) DGKATSHRPAMMAPTLMNA
SCHEMBL10010089 0.94 TSHR (0.38) DGKATSHRPAMMAPTLMNA
SCHEMBL10012611 0.93 PAM (0.42) DGKATSHRPAMLMNAALDH1A1
SCHEMBL10012818 0.91 TSHR (0.41) TSHRPAMLMNAALDH1A1MEN1
SCHEMBL10012056 0.90 ADRA2A (0.35) TSHRMAPTALDH1A1
SCHEMBL28602342 0.89 DGKA (0.44) DGKATSHRPAMMAPTLMNA
SCHEMBL10010090 0.87 TSHR (0.46) DGKATSHRPAMLMNAALDH1A1
SCHEMBL10012059 0.83 EGLN1 (0.38) TSHRPAMMAPTLMNAALDH1A1
SCHEMBL10010675 0.78 DGKA (0.39) DGKATSHRPAMMAPTLMNA
SCHEMBL7680017 0.77 DGKA (0.50) DGKATSHRPAMMAPTLMNA

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 DGKA 1127/4885TSHR 3669/4885PAM 2577/4885

“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.