SCHEMBL10012698

SCHEMBL10012698

C#CCOC(=O)CCC(OS(=O)(=O)c1ccc(C)cc1)C(=O)OCC#C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
LMNA P02545 1/20 0.37
ALDH1A1 P00352 6/20 0.37
GAA P10253 1/20 0.36
KMT2A Q03164 3/20 0.35
GSTP1 P09211 1/20 0.35
RECQL P46063 1/20 0.34
PAX8 Q06710 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
TSHR P16473 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
SCHEMBL10012429 0.88 CYP1A2 (0.41) CYP1A2CYP2D6CA12CA1CA2
SCHEMBL10010294 0.88 ALDH1A1 (0.43) CYP1A2CYP2D6CA12CA1CA2
SCHEMBL10011699 0.81 CYP1A2 (0.45) CYP1A2CYP2D6CA12CA1CA2
SCHEMBL10011144 0.81 CYP1A2 (0.45) CYP1A2CYP2D6CA12CA1CA2
SCHEMBL10010253 0.80 CYP1A2 (0.46) CYP1A2CYP2D6CA12CA1CA2
SCHEMBL10010735 0.79 NPC1 (0.40) CYP1A2CYP2D6CA12CA1CA2
SCHEMBL10012341 0.79 CA12 (0.44) CA12CA1CA2CA9LMNA
SCHEMBL10011882 0.78 GSTP1 (0.36) CA12CA1CA2CA9CA14
SCHEMBL10010886 0.78 CYP1A2 (0.39) CYP1A2CYP2D6CA12CA1CA2
SCHEMBL10012392 0.76 CYP1A2 (0.47) CYP1A2CYP2D6CA12CA1CA2

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 3415/4885CYP2D6 2905/4885CA12 270/4885

“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.