SCHEMBL1244093

SCHEMBL1244093

C=CCC1(COC(=O)NC2(OC(C)=O)CCCCC2)CCCC1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 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
SCHEMBL1243340 0.99
SCHEMBL731326 0.97 MEN1 (0.32) MEN1KMT2AALDH1A1POLB
SCHEMBL731075 0.96
SCHEMBL731467 0.80 EPHX1 (0.34)
SCHEMBL1244090 0.75 USP2 (0.36) ALDH1A1
SCHEMBL1243338 0.74 USP2 (0.34) ALDH1A1
SCHEMBL731325 0.73 USP2 (0.33) ALDH1A1
SCHEMBL4662070 0.73 ALDH1A1 (0.36) MEN1KMT2AALDH1A1POLB
SCHEMBL4722847 0.71 ALDH1A1 (0.44) KMT2AALDH1A1
SCHEMBL28786559 0.71 ALDH1A1 (0.34) MEN1KMT2AALDH1A1POLB

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-20110028494-A1 HCV NS3 Protease Inhibitors MERCK SHARP & DOHME LLC 2011-02-03 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-20110028494-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC MEN1 4761/4885KMT2A 3629/4885ALDH1A1 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.