SCHEMBL6746129

SCHEMBL6746129

N#CC(C=O)CC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.39
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH4 P08319 1/20 0.36
ADH7 P40394 1/20 0.36
CTSL P07711 7/20 0.36
CTSB P07858 7/20 0.36
CTSH P09668 5/20 0.35

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
SCHEMBL6475722 0.90
SCHEMBL6344607 0.87 CTSK (0.40) CTSKCTSLCTSBCTSH
SCHEMBL13723044 0.72 ADH1B (0.43) CTSKADH1BADH1CADH1AADH4
SCHEMBL29278682 0.72 CTSK (0.39) CTSKCTSLCTSBCTSH
SCHEMBL27437240 0.72 CTSK (0.39) CTSKCTSLCTSBCTSH
SCHEMBL21211687 0.70 KDM4E (0.38) CTSKCTSLCTSBCTSH
SCHEMBL27534752 0.70 KDM4E (0.38) CTSKCTSLCTSBCTSH
SCHEMBL2265272 0.68 ADH1B (0.40) ADH1BADH1CADH1AADH4ADH7
SCHEMBL4395112 0.68 CTSK (0.37) CTSKCTSLCTSBCTSH
SCHEMBL3992964 0.68 CTSK (0.40) CTSKCTSLCTSBCTSH

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-20040254181-A1 Process for the preparation of 9-deazaguanine derivatives BIOCRYST PHARMACEUTICALS, INC. 2004-12-16 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-20040254181-A1 Process for the preparation of 9-deazaguanine derivatives ALKBH3, ALKBH2, ALKBH1 CTSK 804/4885ADH1B 1149/4885ADH1C 322/4885

“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.