SCHEMBL10012504

SCHEMBL10012504

CC#CC(C)OC(=O)CCCCC(=O)OC(C)C#CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
MAPT P10636 3/20 0.41
MAPK1 P28482 3/20 0.41
ALDH1A1 P00352 1/20 0.39
PRKCA P17252 1/20 0.36
PRKCE Q02156 1/20 0.36
PRKCQ Q04759 1/20 0.36
PRKCD Q05655 1/20 0.36
TSHR P16473 2/20 0.36
CYP1A2 P05177 3/20 0.34
MEN1 O00255 1/20 0.33
GMNN O75496 1/20 0.33
HSP90AA1 P07900 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
DGKA P23743 1/20 0.33
TP53 P04637 1/20 0.33
CYP2C9 P11712 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
SCHEMBL10011163 0.96 LMNA (0.44) LMNAMAPTMAPK1ALDH1A1PRKCA
SCHEMBL10476467 0.91 LMNA (0.38) LMNAMAPTMAPK1TSHR
SCHEMBL28387385 0.85 ALDH1A1 (0.44) LMNAMAPTMAPK1ALDH1A1PRKCA
SCHEMBL28382671 0.80 MEN1 (0.35) LMNAALDH1A1MEN1KMT2A
SCHEMBL9100884 0.78 LMNA (0.48) LMNAMAPTMAPK1ALDH1A1PRKCA
SCHEMBL2103592 0.77 TSHR (0.33) TSHR
SCHEMBL2107461 0.77 TSHR (0.32) TSHR
SCHEMBL5557156 0.75
SCHEMBL576505 0.75
SCHEMBL9360976 0.74 LMNA (0.44) LMNAMAPTMAPK1ALDH1A1PRKCA

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 LMNA 2788/4885MAPT 4867/4885MAPK1 404/4885

“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.