SCHEMBL283143

SCHEMBL283143

CCC(CC)(Oc1cc(C)c(Cc2ccc(OCOC)c(C(=O)NCCc3ccccc3)c2)c(C)c1)P(=O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.44
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
GBA1 P04062 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
PPARA Q07869 2/20 0.38
PPARD Q03181 1/20 0.38
PTGS2 P35354 1/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.37
PPARG P37231 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
SCHEMBL3734457 0.86 THRA (0.51) AKR1C3KMT2AMEN1GBA1NPC1
SCHEMBL285734 0.86 THRB (0.40) KMT2APPARAPPARDALDH1A1PPARG
SCHEMBL296674 0.84 AKR1C3 (0.50) AKR1C3KMT2AMEN1GBA1NPC1
SCHEMBL282808 0.83 THRA (0.44) PPARAPPARDPPARG
SCHEMBL4211550 0.83 AKR1C3 (0.47) AKR1C3KMT2AMEN1GBA1NPC1
SCHEMBL4211968 0.83 KDM5B (0.47) AKR1C3KMT2AMEN1GBA1NPC1
SCHEMBL283188 0.82 AKR1C3 (0.47) AKR1C3KMT2AMEN1GBA1NPC1
SCHEMBL282343 0.81 NPC1 (0.42) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL282900 0.79 THRB (0.41) NPC1RAB9ASMN1; SMN2
SCHEMBL282123 0.78 THRA (0.38) NPC1ALDH1A1

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 7 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-20100081634-A1 Novel Phosphorus-Containing Thyromimetics METABASIS THERAPEUTICS, INC. (US) 2010-04-01 US disclosed
US-7514419-B2 Phosphorus-containing thyromimetics METABASIS THERAPEUTICS, INC. (US) 2009-04-07 US disclosed
US-20090028925-A1 Novel Phosphinic Acid-Containing Thyromimetics METABASIS THERAPEUTICS, INC. 2009-01-29 US disclosed
EP-1890768-A2 NOVEL PHOSPHINIC ACID-CONTAINING THYROMIMETICS Metabasis Therapeutics, Inc. (US) 2008-02-27 EP disclosed
WO-2006128056-A2 NOVEL PHOSPHINIC ACID-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS, INC. (US) 2006-11-30 WO disclosed
US-20060046980-A1 Novel phosphorus-containing thyromimetics METABASIS THERAPEUTICS, INC. 2006-03-02 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 (3 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-20100081634-A1 Novel Phosphorus-Containing Thyromimetics PYGL, THRA, THOP1 AKR1C3 880/4885KMT2A 4004/4885MEN1 1845/4885
US-20060046980-A1 Novel phosphorus-containing thyromimetics PYGL, THRA, THOP1 AKR1C3 880/4885KMT2A 4004/4885MEN1 1845/4885
US-20090028925-A1 Novel Phosphinic Acid-Containing Thyromimetics PYGL, PHOSPHO1, LIPE AKR1C3 1249/4885KMT2A 3065/4885MEN1 1545/4885

“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.