SCHEMBL6856461

SCHEMBL6856461

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nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
EPHX1 P07099 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
SCHEMBL1618240 0.84 CA2 (0.48) MAPK1SMN1; SMN2CA1CA2EPHX1
SCHEMBL1618000 0.84 CA2 (0.34) MAPK1SMN1; SMN2CA1CA2EPHX1
Trifluoroacetic Acid SCHEMBL27839155 0.76 MAPK1 (0.42) MAPK1SMN1; SMN2CA1CA2EPHX1
SCHEMBL4448130 0.74 CA2 (0.35) MAPK1SMN1; SMN2CA1CA2EPHX1
Trifluoromethanesulfonic Acid SCHEMBL1861472 0.73 ALDH1A1 (0.33) EPHX1
SCHEMBL13271935 0.72 MAPK1 (0.39) MAPK1SMN1; SMN2CA1CA2EPHX1
SCHEMBL25787304 0.71 EPHX1 (0.46) CA1CA2EPHX1
Tetrylammonium SCHEMBL1618712 0.70 CA2 (0.35) MAPK1SMN1; SMN2CA1CA2EPHX1
SCHEMBL10076880 0.70 CA1 (0.42) MAPK1SMN1; SMN2CA1CA2EPHX1
Trifluoromethanesulfonic Acid SCHEMBL3225327 0.69 GPR3 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1414088-B1 NOVEL ONIUM SALT, ELECTROLYTE FOR NONAQUEOUS CELL CONTAINING THE NOVEL ONIUM SALT FOR NONAQUEOUS CELL, AND METHOD FOR OPTIMIZING A NEGATIVE ELECTRODE USING AN ELECTROLYTE CONTAINING THE ONIUM SALT TOKUYAMA CORP (JP) 2013-05-22 EP disclosed
US-20040170890-A1 Novel onium salt, electrolyte for non-aqueous cell containing the novel onium salt for nonaqueous cell, and method for optimizing negative electrode using elecrolyte containing onium salt NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2004-09-02 US disclosed
EP-1414088-A1 NOVEL ONIUM SALT, ELECTROLYTE FOR NONAQUEOUS CELL CONTAINING THE NOVEL ONIUM SALT FOR NONAQUEOUS CELL, AND METHOD FOR OPTIMIZING NEGATIVE ELECTRODE USING ELECTROLYTE CONTAINING ONIUM SALT Tokuyama Corporation (JP) 2004-04-28 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-20040170890-A1 Novel onium salt, electrolyte for non-aqueous cell containing the novel onium salt for nonaqueous cell, and method for optimizing negative electrode using elecrolyte containing onium salt ALPL, CACNA2D3, FASTKD5 MAPK1 1317/4885SMN1; SMN2 1685/4885CA1 9/4885

“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.