SCHEMBL15099896

SCHEMBL15099896

C=CCCC[C@H]1CCC[C@]1(C)OC(=O)N[C@H](C(=O)O)C1CCCC1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.33

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
SCHEMBL3301175 1.00 CASP1 (0.33) CASP1
SCHEMBL20477493 1.00 CASP1 (0.33) CASP1
SCHEMBL3301171 1.00 CASP1 (0.33) CASP1
SCHEMBL882267 0.95 CASP1 (0.33) CASP1
SCHEMBL882265 0.95 CASP1 (0.33) CASP1
SCHEMBL15093242 0.89 ALDH1A1 (0.33) CASP1
SCHEMBL881988 0.89 ALDH1A1 (0.33) CASP1
SCHEMBL14979844 0.85 CASP1 (0.33) CASP1
SCHEMBL14979850 0.85 CASP1 (0.33) CASP1
SCHEMBL14979934 0.84 ALDH1A1 (0.33) CASP1

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-20130178413-A1 HCV NS3 PROTEASE INHIBITORS MSD ITALIA SRL (IT) 2013-07-11 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-20130178413-A1 HCV NS3 PROTEASE INHIBITORS HAVCR2, CTSC, GTF3C3 CASP1 171/4885

“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.