SCHEMBL9001946

SCHEMBL9001946

CC(C)(C)OC(=O)CN(CCN(CC(=O)OC(C)(C)C)CC(CO)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 1/20 0.31

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
SCHEMBL8061791 1.00 NR1D1 (0.31) NR1D1
SCHEMBL17449472 0.92
SCHEMBL8256157 0.84
SCHEMBL5957310 0.83 CYP2D6 (0.33) NR1D1
SCHEMBL6153982 0.81 CPB2 (0.31)
SCHEMBL12298229 0.79
SCHEMBL8090953 0.79 ATM (0.39) NR1D1
SCHEMBL8061701 0.79 NR1D1 (0.31) NR1D1
SCHEMBL14439275 0.79 NR1D1 (0.31) NR1D1
SCHEMBL19458 0.78 TDP1 (0.42) NR1D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185311-A1 Peptide-Based Multimeric Targeted Contrast Agents EPIX PHARMACEUTICALS, INC. (US) 2007-08-09 US disclosed
EP-0731784-A1 ARYL HALIDE SUBSTITUTED METALLIC COMPLEXES, PHARMACEUTICALS CONTAINING THESE COMPLEXES, THEIR USE FOR DIAGNOSTIC PURPOSES, AND METHODS FOR PREPARING THE COMPLEXES AND PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 1996-09-18 EP disclosed
WO-1995015306-A1 ARYL HALIDE SUBSTITUTED METALLIC COMPLEXES, PHARMACEUTICALS CONTAINING THESE COMPLEXES, THEIR USE FOR DIAGNOSTIC PURPOSES, AND METHODS FOR PREPARING THE COMPLEXES AND PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 1995-06-08 WO disclosed
EP-0405704-B1 DTPA-complexes derivatives, pharmaceutical compositions containing them, their use and process for their preparation SCHERING AG (DE) 1994-12-14 EP 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-20070185311-A1 Peptide-Based Multimeric Targeted Contrast Agents NGLY1, IAPP, NPPA NR1D1 4108/4885

“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.