SCHEMBL12635327

SCHEMBL12635327

C/C=C/[C@@H](CC)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.60
▸ KMT2A Q03164 2/20 0.49
▸ MDM4 O15151 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ EPHX2 P34913 1/20 0.46
▸ TLR2 O60603 1/20 0.43

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
SCHEMBL27590333 0.91 CASP3 (0.58) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL12635234 0.90 CASP3 (0.60) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL12635331 0.90 CASP3 (0.60) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL10187000 0.89 CASP3 (0.60) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL13570148 0.89 CASP3 (0.60) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL119534 0.85 CASP3 (0.60) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL119338 0.85 CASP3 (0.60) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL30074822 0.84 CASP3 (0.55) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL13928228 0.83 CASP3 (0.55) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL178787 0.81 MDM4 (0.60) CASP3KMT2AMDM4TP53TLR2

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-20110105389-A1 Macrocyclic Ghrelin Receptor Antagonists and Inverse Agonists and Methods of Using the Same OCERA THERAPEUTICS, INC. 2011-05-05 — — 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-20110105389-A1 Macrocyclic Ghrelin Receptor Antagonists and Inverse Agonists and Methods of Using the Same GHSR, GHRHR, GIPR CASP3 2886/4885KMT2A 1737/4885MDM4 4865/4885

“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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