SCHEMBL14947860

SCHEMBL14947860

CCC[C@H](NC(=O)[C@@H](NC(=O)[C@]1(C)CCCCCCCCC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)C(=O)[C@H](CCC(N)=O)NN1)[C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 4/20 0.43
MDM2 Q00987 4/20 0.43
MCL1 Q07820 3/20 0.43
EIF4E P06730 4/20 0.42
EIF4EBP1 Q13541 4/20 0.42
ESR1 P03372 3/20 0.42
KRAS P01116 2/20 0.42
BECN1 Q14457 2/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL16975610 0.98 MDM4 (0.43) MDM4MDM2MCL1EIF4EEIF4EBP1
SCHEMBL14947855 0.94 MCL1 (0.47) MDM4MDM2MCL1EIF4EEIF4EBP1
SCHEMBL14947863 0.88 ESR1 (0.40) MDM4MDM2MCL1EIF4EEIF4EBP1
SCHEMBL14948248 0.88 ESR1 (0.40) MDM4MDM2MCL1EIF4EEIF4EBP1
SCHEMBL15183813 0.72 MDM2 (0.66) MDM4MDM2EIF4EEIF4EBP1ESR1
SCHEMBL16975828 0.68 ESR1 (0.34) MDM4MDM2MCL1EIF4EEIF4EBP1
SCHEMBL14950915 0.68 EIF4E (0.38) MDM4MDM2MCL1EIF4EEIF4EBP1
SCHEMBL16509084 0.63 NPY4R (0.55)
SCHEMBL30143636 0.62 NPY4R (0.50)
SCHEMBL16509125 0.62 KISS1R (0.48)

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-20130123169-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2013-05-16 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-20130123169-A1 PEPTIDOMIMETIC MACROCYCLES GHRHR, GHSR, GHITM MDM4 3659/4885MDM2 1314/4885MCL1 677/4885

“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.