SCHEMBL10011538

SCHEMBL10011538

C#CCOC(=O)CC(C(=O)OCC#C)C(OS(=O)(=O)c1ccccc1)C(=O)OCC#C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
KAT6A Q92794 1/20 0.34
TSHR P16473 3/20 0.32
HSD11B1 P28845 2/20 0.32
GSTP1 P09211 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL10010886 0.88 CYP1A2 (0.39) NPC1ALDH1A1CA12CA1CA2
SCHEMBL10012276 0.87 NPC1 (0.46) NPC1ALDH1A1TAAR1CA12CA1
SCHEMBL10011114 0.84 NPC1 (0.41) NPC1ALDH1A1TAAR1CA12CA1
SCHEMBL10012688 0.79 NPC1 (0.46) NPC1ALDH1A1TAAR1CA12CA1
SCHEMBL10011083 0.78 L3MBTL1 (0.30) CA12CA1CA2CA9CA14
SCHEMBL10011594 0.77 NPC1 (0.44) NPC1ALDH1A1TAAR1CA12CA1
SCHEMBL10010294 0.77 ALDH1A1 (0.43) NPC1ALDH1A1TAAR1CA12CA1
SCHEMBL10009666 0.74 KMT2A (0.46) NPC1ALDH1A1CA12CA1CA2
SCHEMBL10011144 0.74 CYP1A2 (0.45) NPC1ALDH1A1CA12CA1CA2
SCHEMBL10012743 0.73 NPC1 (0.46) NPC1ALDH1A1TAAR1CA12CA1

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 NPC1 2731/4885ALDH1A1 2965/4885TAAR1 1055/4885

“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.