SCHEMBL12635233

SCHEMBL12635233

CC[C@H](/C=C/c1ccccc1OCCO[Si](C)(C)C(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.45
▸ MDM4 O15151 3/20 0.39
▸ TP53 P04637 3/20 0.39
▸ TNF P01375 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TLR2 O60603 1/20 0.36
▸ MDM2 Q00987 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
SCHEMBL12635325 0.93 CASP3 (0.41) CASP3MDM4TP53TNFTLR2
SCHEMBL12667232 0.86 CASP3 (0.48) CASP3MDM4TP53TNFKMT2A
SCHEMBL12635230 0.86 CASP3 (0.50) CASP3MDM4TP53KMT2ATLR2
SCHEMBL12668872 0.80 CASP3 (0.40) CASP3MDM4TP53TNFTLR2
SCHEMBL12635323 0.79 CASP3 (0.45) CASP3MDM4TP53KMT2ATLR2
SCHEMBL12635334 0.79 CASP3 (0.45) CASP3MDM4TP53KMT2ATLR2
SCHEMBL12635331 0.77 CASP3 (0.60) CASP3MDM4TP53KMT2ATLR2
SCHEMBL12635234 0.77 CASP3 (0.60) CASP3MDM4TP53KMT2ATLR2
SCHEMBL31000709 0.76 CASP3 (0.51) CASP3MDM4TP53KMT2A
SCHEMBL21404824 0.76 MDM2 (0.54) CASP3MDM4TP53TNFTLR2

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 2886/4885MDM4 4865/4885TP53 4702/4885

“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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