SCHEMBL15325938

SCHEMBL15325938

C=CCC(C)(C)COC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)OC)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
VHL P40337 12/20 0.37
MMP2 P08253 2/20 0.34
ANPEP P15144 2/20 0.34
PEPD P12955 1/20 0.34
ELOC Q15369 9/20 0.34
ELOB Q15370 9/20 0.34

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
SCHEMBL8002083 0.88 VHL (0.39) ALDH1A1VHLMMP2ANPEPPEPD
SCHEMBL8002433 0.84 VHL (0.40) ALDH1A1VHLMMP2ANPEPPEPD
SCHEMBL13703334 0.83 VHL (0.40) ALDH1A1VHLMMP2ANPEPPEPD
SCHEMBL8015855 0.79 ELANE (0.44) ALDH1A1VHLMMP2ANPEPPEPD
SCHEMBL10292790 0.79 ELANE (0.44) ALDH1A1VHLMMP2ANPEPPEPD
SCHEMBL806128 0.79 ELANE (0.44) ALDH1A1VHLMMP2ANPEPPEPD
SCHEMBL20120873 0.79 ELANE (0.44) ALDH1A1VHLMMP2ANPEPPEPD
SCHEMBL13318866 0.79 ELANE (0.44) ALDH1A1VHLMMP2ANPEPPEPD
SCHEMBL20120875 0.79 ELANE (0.44) ALDH1A1VHLMMP2ANPEPPEPD
SCHEMBL8253158 0.79 ELANE (0.44) ALDH1A1VHLMMP2ANPEPPEPD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9120818-B2 Process and intermediates for preparing macrolactams MERCK SHARP & DOHME CORP. (US) 2015-09-01 US disclosed
US-20130274463-A1 PROCESS AND INTERMEDIATES FOR PREPARING MACROLACTAMS MERCK SHARP & DOHME CORP. 2013-10-17 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-20130274463-A1 PROCESS AND INTERMEDIATES FOR PREPARING MACROLACTAMS EMG1, MRPS18B, MLN ALDH1A1 3301/4885VHL 4518/4885MMP2 658/4885

“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.