SCHEMBL6356022

SCHEMBL6356022

O=C(O)C[C@H]1CCC[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
EPHX2 P34913 1/20 0.45
CASP3 P42574 4/20 0.43
FABP7 O15540 2/20 0.41
FABP5 Q01469 2/20 0.41
MDM4 O15151 1/20 0.41
TP53 P04637 1/20 0.41
OPRD1 P41143 1/20 0.39

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
SCHEMBL10169075 1.00 KMT2A (0.49) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL6348276 0.98 KMT2A (0.49) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL10169311 0.98 KMT2A (0.49) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL31370443 0.89 KMT2A (0.53) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL31369649 0.89 KMT2A (0.53) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL31370345 0.89 KMT2A (0.53) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL31370149 0.89 KMT2A (0.53) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL31369977 0.86 KMT2A (0.53) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL31369639 0.86 KMT2A (0.53) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL14368653 0.86 KMT2A (0.49) KMT2AEPHX2CASP3FABP7FABP5

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
US-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION 2012-01-26 US disclosed
US-7858737-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-12-28 US disclosed
US-7858737-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-12-28 US disclosed
US-6958384-B2 Polypeptides containing γ-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2005-10-25 US disclosed
US-20030211999-A1 Polypeptides containing gamma-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION 2003-11-13 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 (2 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-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS DNPEP, PRKCSH, YWHAZ KMT2A 3597/4885EPHX2 2808/4885CASP3 3540/4885
US-20030211999-A1 Polypeptides containing gamma-amino acids PEPD, DNPEP, ANPEP KMT2A 3264/4885EPHX2 3315/4885CASP3 1243/4885

“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.