SCHEMBL13063726

SCHEMBL13063726

CC(C)COC[C@H](CC(C)C)NC=O

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 2/20 0.41
ADH1C P00326 2/20 0.41
ADH1A P07327 2/20 0.41
CTSK P43235 1/20 0.41

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
SCHEMBL1911407 0.86 ADH1B (0.35) ADH1BADH1CADH1ACTSK
SCHEMBL2701598 0.80 CTSK (0.34) ADH1BADH1CADH1ACTSK
SCHEMBL277866 0.80 ADH1B (0.48) ADH1BADH1CADH1A
SCHEMBL14115915 0.74 ADH1B (0.42) ADH1BADH1CADH1A
SCHEMBL2702682 0.72 ADH1B (0.40) ADH1BADH1CADH1A
SCHEMBL1911356 0.72 ADH1B (0.40) ADH1BADH1CADH1A
SCHEMBL2700414 0.69 ADH1B (0.37) ADH1BADH1CADH1A
SCHEMBL28559210 0.69 ADH1B (0.46) ADH1BADH1CADH1A
SCHEMBL31670211 0.69 CTSK (0.37) CTSK
SCHEMBL23378342 0.68 ADH1B (0.46) ADH1BADH1CADH1A

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-20100331545-A1 REGULATOR FOR SIGNALING TOLL-LIKE RECEPTOR, WHICH COMPRISES CATHEPSIN INHIBITOR AS ACTIVE INGREDIENT NIPPON CHEMIPHAR CO., LTD. (JP) 2010-12-30 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-20100331545-A1 REGULATOR FOR SIGNALING TOLL-LIKE RECEPTOR, WHICH COMPRISES CATHEPSIN INHIBITOR AS ACTIVE INGREDIENT TLR1, TLR7, TLR6 ADH1B 4592/4885ADH1C 4663/4885ADH1A 4759/4885

“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.