SCHEMBL30354527

SCHEMBL30354527

CCCCOC(=O)NCCCN=[N+]=[N-]

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.60
EPHX2 P34913 2/20 0.44
EPHX1 P07099 1/20 0.42

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
SCHEMBL16166336 0.92 ACHE (0.57) ACHEEPHX2EPHX1
SCHEMBL23607511 0.89 ACHE (0.66) ACHEEPHX1
SCHEMBL22381321 0.87 ACHE (0.55) ACHEEPHX2EPHX1
SCHEMBL23137391 0.87 ACHE (0.51) ACHEEPHX2EPHX1
SCHEMBL19513091 0.86 ACHE (0.58) ACHEEPHX2EPHX1
SCHEMBL30080469 0.86 ACHE (0.51) ACHEEPHX2EPHX1
SCHEMBL16013082 0.85 ACHE (0.51) ACHEEPHX2EPHX1
SCHEMBL30080289 0.85 ACHE (0.54) ACHEEPHX2EPHX1
SCHEMBL25810088 0.85 ACHE (0.51) ACHE
SCHEMBL31290254 0.82 ACHE (0.47) ACHEEPHX2

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-11639342-B2 1,3-dipolar cycloadditions, and Staudinger ligations for conjugating biomolecules using click chemistry Bioconjugate Technologies, LLC (US) 2023-05-02 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-11639342-B2 1,3-dipolar cycloadditions, and Staudinger ligations for conjugating biomolecules using click chemistry LIG1, TIE1, ALDH1B1 ACHE 816/4885EPHX2 767/4885EPHX1 1278/4885

“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.