SCHEMBL13067386

SCHEMBL13067386

C=CCCCCC[C@@H](C=O)NC(=O)N(C)CC(C)(C)CC=C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.38
PDF Q9HBH1 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
USP2 O75604 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL2894902 0.83 SLC6A5 (0.35) PDFALDH1A1LMNAUSP2CYP3A4
SCHEMBL13026190 0.80 KMT2A (0.35) ALDH1A1LMNAUSP2CYP3A4MAPT
SCHEMBL13026184 0.80 KMT2A (0.35) ALDH1A1LMNAUSP2CYP3A4MAPT
SCHEMBL10274067 0.72 CTSK (0.57) CTSK
SCHEMBL12607856 0.66 CTSK (0.57) CTSK
SCHEMBL13350750 0.64 ADH1B (0.36) ALDH1A1LMNAUSP2CYP3A4MAPT
SCHEMBL28760000 0.64 ALDH1A1 (0.49) CTSKALDH1A1LMNAMAPT
SCHEMBL2457118 0.63 TGM2 (0.42) CTSKALDH1A1LMNAUSP2CYP3A4
SCHEMBL13268215 0.62 CTSK (0.43) CTSKALDH1A1LMNAUSP2CYP3A4
SCHEMBL4530365 0.62 PDF (0.37) CTSKPDFALDH1A1LMNAMAPT

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-20100286185-A1 HCV NS3 Protease Inhibitors MERCK SHARP & DOHME LLC 2010-11-11 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-20100286185-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC CTSK 121/4885PDF 1052/4885ALDH1A1 1199/4885

“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.