SCHEMBL21837819

SCHEMBL21837819

CC(C)CCN(CC(=O)OC(C)(C)C)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 1/20 0.38
▸ MDM2 Q00987 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ FABP5 Q01469 3/20 0.36
▸ FABP7 O15540 2/20 0.36
▸ MDM4 O15151 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ EPHX2 P34913 1/20 0.35

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
SCHEMBL25657528 0.88 KMT2A (0.39) MDM2KMT2AFABP5FABP7EPHX2
SCHEMBL22091999 0.86 KMT2A (0.47) MDM2KMT2AFABP5FABP7EPHX2
SCHEMBL30278742 0.86 KMT2A (0.47) MDM2KMT2AFABP5FABP7EPHX2
SCHEMBL25657526 0.86 KMT2A (0.40) MDM2KMT2AFABP5FABP7EPHX2
SCHEMBL25112440 0.85 KMT2A (0.40) KMT2AFABP5FABP7EPHX2
SCHEMBL30510339 0.85 KMT2A (0.42) KMT2AFABP5FABP7EPHX2
SCHEMBL21837525 0.85 KMT2A (0.42) KMT2AFABP5FABP7EPHX2
SCHEMBL27032721 0.85 FABP5 (0.38) MDM2KMT2AFABP5FABP7EPHX2
SCHEMBL22092037 0.85 KMT2A (0.39) CASRMDM2KMT2AFABP5FABP7
SCHEMBL25657525 0.85 KMT2A (0.37) MDM2KMT2AFABP5FABP7EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118256591-A Cyclic peptide compound having high membrane permeability and library comprising same 中外制药株式会社 2024-06-28 — — CN disclosed
CN-110869544-B Cyclic peptide compound having high membrane permeability and library comprising same 中外制药株式会社 2024-03-08 — — CN disclosed
US-20200131669-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2020-04-30 — — US disclosed
EP-3636807-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME Chugai Seiyaku Kabushiki Kaisha (JP) 2020-04-15 — — EP disclosed
CN-110869544-A Cyclic peptide compound having high membrane permeability and library containing same 中外制药株式会社 2020-03-06 — — CN 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-20200131669-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME VIP, SLC7A1, TRPV1 CASR 843/4885MDM2 3434/4885KMT2A 4201/4885

“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.

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