SCHEMBL10010035

SCHEMBL10010035

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PRKCA P17252 1/20 0.31
PRKCE Q02156 1/20 0.31
PRKCQ Q04759 1/20 0.31
PRKCD Q05655 1/20 0.31
TSHR P16473 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL10011121 0.89 DGKA (0.38) LMNAMAPTMAPK1ALDH1A1PRKCA
SCHEMBL9100884 0.89 LMNA (0.48) LMNAMAPTMAPK1ALDH1A1CYP1A2
SCHEMBL10012780 0.88 MAPT (0.46) LMNAMAPTMAPK1ALDH1A1CYP1A2
SCHEMBL30301319 0.86 MAPT (0.48) LMNAMAPTMAPK1ALDH1A1CYP1A2
SCHEMBL10010928 0.86 DGKA (0.34) LMNAMAPTALDH1A1PRKCAPRKCE
SCHEMBL10009455 0.85 LMNA (0.44) LMNAMAPTMAPK1ALDH1A1CYP1A2
SCHEMBL10011350 0.82 TSHR (0.44) LMNAMAPTALDH1A1CYP1A2CYP2D6
SCHEMBL27878788 0.82 LMNA (0.61) LMNAMAPTMAPK1ALDH1A1CYP1A2
SCHEMBL10012508 0.82 TSHR (0.50) LMNAMAPTMAPK1ALDH1A1TSHR
SCHEMBL10009497 0.82 LMNA (0.39) LMNAMAPTMAPK1ALDH1A1CYP1A2

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 7 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
CN-104795595-A Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES 2015-07-22 CN disclosed
CN-102498605-B Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES 2015-05-20 CN 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
CN-102498605-A Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES 2012-06-13 CN 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.