SCHEMBL10012508

SCHEMBL10012508

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
LMNA P02545 5/20 0.43
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CA12 O43570 3/20 0.38
CA14 Q9ULX7 3/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
RECQL P46063 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL10011165 0.96 TSHR (0.56) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL10011858 0.92 TSHR (0.52) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL9100884 0.92 LMNA (0.48) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL10009455 0.88 LMNA (0.44) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL27878788 0.85 LMNA (0.61) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL10011350 0.85 TSHR (0.44) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL10010582 0.84 LMNA (0.38) TSHRLMNAKMT2AMEN1MAPT
SCHEMBL10012780 0.84 MAPT (0.46) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL10011971 0.84 LMNA (0.46) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL10010035 0.82 LMNA (0.41) TSHRLMNAALDH1A1KMT2AMEN1

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 TSHR 3669/4885LMNA 2788/4885ALDH1A1 2965/4885

“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.