SCHEMBL282890

SCHEMBL282890

CCC(CC)(Oc1cc(C)c(Cc2ccc(O)c(NC(=O)OCc3ccccc3)c2)c(C)c1)P(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
THRA P10827 8/20 0.44
THRB P10828 8/20 0.44
MAOA P21397 1/20 0.41
PARP1 P09874 1/20 0.39
CASP3 P42574 2/20 0.39
GFER P55789 1/20 0.38
OPRK1 P41145 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
MAPT P10636 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL282343 0.86 NPC1 (0.42) NPC1RAB9ATHRATHRBPARP1
SCHEMBL281933 0.86 THRB (0.62) NPC1RAB9ATHRATHRBMAOA
SCHEMBL13381726 0.85 THRB (0.53) NPC1RAB9ATHRATHRBMAOA
SCHEMBL282370 0.83 THRB (0.47) THRATHRB
SCHEMBL13946910 0.81 NPC1 (0.46) NPC1RAB9ATHRATHRBMAOA
SCHEMBL286825 0.79 THRA (0.49) THRATHRB
SCHEMBL282703 0.79 ADRA2A (0.48) THRATHRB
SCHEMBL282421 0.77 THRB (0.53) THRATHRB
SCHEMBL282570 0.77 THRB (0.48) THRATHRB
SCHEMBL3159430 0.75 THRB (0.67) THRATHRB

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 NPC1 897/4885RAB9A 3257/4885THRA 14/4885

“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.