SCHEMBL17154157

SCHEMBL17154157

CC(C)C(=O)[C@@H]1[C@H](C(C)C)CCN1C(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.33
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL24634005 0.79 MEN1 (0.32) MEN1ALDH1A1KMT2A
SCHEMBL15715597 0.79 MEN1 (0.35) MEN1ALDH1A1KMT2A
SCHEMBL14558073 0.79 MEN1 (0.35) MEN1ALDH1A1KMT2A
SCHEMBL20642385 0.75
SCHEMBL24634009 0.75
SCHEMBL18631749 0.73 ACE (0.34) EPHX1
SCHEMBL12667431 0.72 MEN1 (0.34) MEN1ALDH1A1KMT2A
SCHEMBL14524115 0.72 MEN1 (0.34) MEN1ALDH1A1KMT2A
SCHEMBL24787855 0.71 ALDH1A1 (0.31) ALDH1A1
SCHEMBL15714056 0.71 ALDH1A1 (0.31) ALDH1A1

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-9605022-B2 Macrocyclic compounds for inhibition of inhibitors of apoptosis ENSEMBLE THERAPEUTICS CORPORATION (US) 2017-03-28 US disclosed
US-20150284427-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-08 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-20150284427-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS BAX, API5, BCL2 EPHX1 3585/4885MEN1 2634/4885ALDH1A1 3376/4885

“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.