SCHEMBL2948744

SCHEMBL2948744

CCOC(=O)C#CC#CC(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
LMNA P02545 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 1/20 0.43
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
SOAT1 P35610 1/20 0.43
TRPA1 O75762 1/20 0.40
TSHR P16473 3/20 0.38
HCAR2 Q8TDS4 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34
GLO1 Q04760 1/20 0.34
CYP1A2 P05177 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL2939615 0.91 GAA (0.42) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL2941830 0.89 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL18446 0.88 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL2941644 0.85
SCHEMBL16885808 0.83 HTT (0.41) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL27767863 0.81
SCHEMBL125810 0.81
SCHEMBL16811766 0.81 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL23212269 0.79
SCHEMBL2220758 0.79

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9666904-B2 Secondary battery NEC CORPORATION (JP) 2017-05-30 US disclosed
US-9666904-B2 Secondary battery NEC CORPORATION (JP) 2017-05-30 US disclosed
US-20150194703-A1 SECONDARY BATTERY NEC CORPORATION (JP) 2015-07-09 US disclosed
US-20150194703-A1 SECONDARY BATTERY NEC CORPORATION (JP) 2015-07-09 US disclosed
US-8013171-B2 Axially asymmetric ester compound and production method thereof NATIONAL UNIVERSITY CORPORATION TOKYO UNIVERSITY OF AGRICULTURE AND TECHNOLOGY (JP) 2011-09-06 US disclosed
US-7727677-B2 Nonaqueous electrolyte solution and lithium secondary battery using same UBE INDUSTRIES, LTD. (JP) 2010-06-01 US disclosed
US-20090299076-A1 Axially asymmetric ester compound and production method thereof NATIONAL UNIVERSITY CORPORATION TOKYO UNIVERSITY OF AGRICULTURE AND TECHNOLOGY (JP) 2009-12-03 US disclosed
EP-1758198-B1 NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME UBE INDUSTRIES (JP) 2009-07-08 EP disclosed
US-20080038644-A1 Nonaques Electrolyte Solution And Lithium Secondary Battery Using Same UBE INDUSTRIES, LTD. (JP) 2008-02-14 US disclosed
EP-1758198-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME Ube Industries, Ltd. (JP) 2007-02-28 EP 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-20090299076-A1 Axially asymmetric ester compound and production method thereof SQLE, COASY, TBC1D5 ALDH1A1 3208/4885LMNA 4226/4885HSD17B10 610/4885

“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.