SCHEMBL7070816

SCHEMBL7070816

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nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TASP1 Q9H6P5 1/20 0.48
▸ PTPN1 P18031 1/20 0.42
▸ F2 P00734 4/20 0.41
▸ CASP1 P29466 2/20 0.37
▸ CASP3 P42574 2/20 0.37
▸ CASP4 P49662 2/20 0.37
▸ CASP5 P51878 2/20 0.37
▸ CASP9 P55211 2/20 0.37
▸ CASP6 P55212 2/20 0.37
▸ CASP8 Q14790 2/20 0.37
▸ CASP10 Q92851 2/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ GRPR P30550 2/20 0.37
▸ PSMB5 P28074 1/20 0.37
▸ PSMB2 P49721 1/20 0.37
▸ BACE1 P56817 1/20 0.36
▸ BACE2 Q9Y5Z0 1/20 0.36
▸ REN P00797 1/20 0.36
▸ KISS1R Q969F8 1/20 0.36
▸ KEAP1 Q14145 1/20 0.36

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
SCHEMBL3253193 0.94 PTPN1 (0.43) TASP1PTPN1F2CASP3CASP7
SCHEMBL31094977 0.83 PTPN1 (0.46) PTPN1F2BACE1BACE2KEAP1
SCHEMBL6687472 0.82 CASP1 (0.46) PTPN1F2CASP1CASP3CASP9
SCHEMBL29310044 0.80 PTPN1 (0.43) PTPN1F2BACE1BACE2KEAP1
SCHEMBL31187019 0.79 BACE1 (0.42) F2CASP1CASP3CASP4CASP5
SCHEMBL21529464 0.79 BACE1 (0.42) F2CASP1CASP3CASP4CASP5
SCHEMBL21481062 0.78 CTSL (0.49) CASP1CASP3CASP4CASP5CASP9
SCHEMBL18328829 0.78 CTSL (0.49) CASP1CASP3CASP4CASP5CASP9
SCHEMBL1548820 0.78 CTSL (0.49) CASP1CASP3CASP4CASP5CASP9
SCHEMBL29310045 0.78 PTPN1 (0.42) PTPN1F2GRPRBACE1BACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030055103-A1 Utilization of achyrocline satureoides (\"Marcela\") extracts and liposomal preparations of natural and semi-synthetic flavonoids for the prevention and treatment of the consequences of stroke and neurodegenerative diseases HEINZEN HORACIO (UY) 2003-03-20 — — 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-20030055103-A1 Utilization of achyrocline satureoides (\"Marcela\") extracts and liposomal preparations of natural and semi-synthetic flavonoids for the prevention and treatment of the consequences of stroke and neurodegenerative diseases ACHE, KYNU, NLN TASP1 859/4885PTPN1 3625/4885F2 1678/4885

“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.

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