SCHEMBL10012706

SCHEMBL10012706

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
NR1I2 O75469 1/20 0.35
PGR P06401 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
PTGS2 P35354 1/20 0.35
PDE4D Q08499 1/20 0.35
DGKA P23743 1/20 0.34
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
MGAM O43451 1/20 0.32

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
SCHEMBL10011523 0.94 DGKA (0.38) CYP1A2KMT2AMEN1POLBL3MBTL1
SCHEMBL10012286 0.92 DGKA (0.37) CYP1A2KMT2AMEN1DGKACYP3A4
SCHEMBL10011627 0.91 L3MBTL1 (0.40) CYP1A2KMT2AMEN1POLBL3MBTL1
SCHEMBL10012573 0.87 TSHR (0.41) KMT2AL3MBTL1TSHRALDH1A1
SCHEMBL10012137 0.85 L3MBTL1 (0.40) CYP1A2KMT2AMEN1POLBL3MBTL1
SCHEMBL10012439 0.85 GSTP1 (0.39) POLBL3MBTL1TSHRMAPT
SCHEMBL10011836 0.84 DGKA (0.35) DGKACYP3A4TSHRTDP1MAPT
SCHEMBL10010187 0.83 ADRA2A (0.33) CYP1A2KMT2AMEN1DGKATSHR
SCHEMBL9510213 0.82 CYP1A2 (0.53) CYP1A2KMT2APOLBL3MBTL1NR1I2
SCHEMBL10010896 0.82 GSTP1 (0.36) L3MBTL1DGKATSHR

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 CYP1A2 3415/4885KMT2A 3003/4885MEN1 2922/4885

“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.