SCHEMBL23318092

SCHEMBL23318092

C=CCOC(=O)[C@@H](N)CCCNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.55
▸ EPHX2 P34913 1/20 0.43
▸ CASP3 P42574 2/20 0.40
▸ DOT1L Q8TEK3 1/20 0.38
▸ TLR2 O60603 2/20 0.37

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
SCHEMBL29823506 0.86 KMT2A (0.52) KMT2AEPHX2CASP3TLR2
SCHEMBL22127844 0.86 KMT2A (0.61) KMT2AEPHX2CASP3DOT1LTLR2
SCHEMBL22127873 0.86 KMT2A (0.61) KMT2AEPHX2CASP3DOT1LTLR2
SCHEMBL29482638 0.86 KMT2A (0.61) KMT2AEPHX2CASP3DOT1LTLR2
SCHEMBL22127898 0.85 KMT2A (0.57) KMT2AEPHX2CASP3DOT1LTLR2
SCHEMBL22127899 0.85 KMT2A (0.57) KMT2AEPHX2CASP3DOT1LTLR2
SCHEMBL17746952 0.85 KMT2A (0.65) KMT2AEPHX2CASP3TLR2
SCHEMBL17746951 0.85 KMT2A (0.65) KMT2AEPHX2CASP3TLR2
SCHEMBL30905448 0.85 KMT2A (0.65) KMT2AEPHX2CASP3TLR2
SCHEMBL29482146 0.85 KMT2A (0.62) KMT2AEPHX2CASP3TLR2

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-20210130409-A1 Method for the Solid-Phase Synthesis of Cyclic Pentapeptides Alsonex Pty Ltd (AU) 2021-05-06 — — 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-20210130409-A1 Method for the Solid-Phase Synthesis of Cyclic Pentapeptides ARG1, PNISR, HRH3 KMT2A 1314/4885EPHX2 593/4885CASP3 1306/4885

“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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