SCHEMBL282417

SCHEMBL282417

CCC(CC)(Oc1cc(C)c(Cc2ccc(O)c(Cc3ccc(F)cc3)c2)c(C)c1)P(=O)(O)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 14/20 0.54
THRA P10827 13/20 0.54
MAPT P10636 1/20 0.35
PTPN5 P54829 1/20 0.34
OPRK1 P41145 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90B1 P14625 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL3157368 0.86 THRB (0.46) THRBTHRAOPRK1HSP90AA1HSP90B1
SCHEMBL282692 0.85 THRA (0.44) THRBTHRAMAPTALDH1A1
SCHEMBL282704 0.83 THRB (0.49) THRBTHRA
SCHEMBL282421 0.82 THRB (0.53) THRBTHRA
SCHEMBL281956 0.82 THRB (0.77) THRBTHRA
SCHEMBL1458123 0.81 THRB (0.54) THRBTHRAMAPTHSP90AA1HSP90B1
SCHEMBL4963877 0.80 THRB (0.64) THRBTHRA
SCHEMBL3159430 0.80 THRB (0.67) THRBTHRA
SCHEMBL282558 0.80 THRB (0.49) THRBTHRA
SCHEMBL286825 0.80 THRA (0.49) THRBTHRAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2428516-A1 Novel phosphorus-containing thyromimetics Metabasis Therapeutics, Inc. (US) 2012-03-14 EP disclosed
US-20090028925-A1 Novel Phosphinic Acid-Containing Thyromimetics METABASIS THERAPEUTICS, INC. 2009-01-29 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-20090028925-A1 Novel Phosphinic Acid-Containing Thyromimetics PYGL, PHOSPHO1, LIPE THRB 41/4885THRA 14/4885MAPT 3105/4885

“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.