SCHEMBL10011523

SCHEMBL10011523

CCOC(=O)C(C)CCCC(=O)OCCC#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 5/20 0.37
MEN1 O00255 3/20 0.37
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 4/20 0.33
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
DNM1 Q05193 1/20 0.33
ATM Q13315 1/20 0.33
NR1I2 O75469 1/20 0.32
PGR P06401 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
PTGS2 P35354 1/20 0.32
PDE4D Q08499 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL10012706 0.94 CYP1A2 (0.41) DGKACYP1A2KMT2AMEN1POLB
SCHEMBL10012286 0.92 DGKA (0.37) DGKACYP1A2KMT2AMEN1MAPT
SCHEMBL10012137 0.91 L3MBTL1 (0.40) DGKACYP1A2KMT2AMEN1POLB
SCHEMBL10011836 0.87 DGKA (0.35) DGKAMAPTTDP1CYP3A4TSHR
SCHEMBL10011627 0.85 L3MBTL1 (0.40) CYP1A2KMT2AMEN1POLBL3MBTL1
SCHEMBL10010896 0.85 GSTP1 (0.36) DGKAL3MBTL1TSHR
SCHEMBL10012573 0.84 TSHR (0.41) KMT2AL3MBTL1TSHRALDH1A1
SCHEMBL10010187 0.83 ADRA2A (0.33) DGKACYP1A2KMT2AMEN1MAPT
SCHEMBL9510213 0.82 CYP1A2 (0.53) DGKACYP1A2KMT2APOLBL3MBTL1
SCHEMBL10012439 0.82 GSTP1 (0.39) POLBL3MBTL1MAPTTSHR

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 1127/4885CYP1A2 3415/4885KMT2A 3003/4885

“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.