SCHEMBL282343

SCHEMBL282343

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.41
PTGER1 P34995 2/20 0.38
AAK1 Q2M2I8 1/20 0.37
THRA P10827 4/20 0.37
THRB P10828 4/20 0.37
FAAH O00519 1/20 0.37
MGLL Q99685 1/20 0.37
PARP1 P09874 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.35
TACR3 P29371 1/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ACHE P22303 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
OPRK1 P41145 1/20 0.34

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
SCHEMBL3161964 0.88 THRA (0.50) NPC1RAB9AKMT2APTGER1AAK1
SCHEMBL282890 0.86 NPC1 (0.47) NPC1RAB9ATHRATHRBPARP1
SCHEMBL282808 0.84 THRA (0.44) THRATHRBOPRK1
SCHEMBL285734 0.81 THRB (0.40) KMT2ATHRATHRB
SCHEMBL283143 0.81 AKR1C3 (0.44) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL282123 0.81 THRA (0.38) NPC1THRATHRB
SCHEMBL282900 0.79 THRB (0.41) NPC1RAB9ATHRATHRBPARP1
SCHEMBL282094 0.78 THRB (0.39) THRATHRBPTGDR2
SCHEMBL282656 0.78 THRB (0.40) THRATHRB
SCHEMBL282220 0.78 THRB (0.40) RAB9ATHRATHRB

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 3257/4885KMT2A 3065/4885

“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.