SCHEMBL4989206

SCHEMBL4989206

CCOC(=O)C1(C(=O)OCC)COC2(CC(C)(C)N(OC(C)c3ccccc3)C(CC)(CC)C2)OC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
KCNA3 P22001 1/20 0.36
GAA P10253 2/20 0.34
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP3A4 P08684 3/20 0.32
CYP1A2 P05177 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
CYP2C19 P33261 2/20 0.32
LMNA P02545 1/20 0.32
CYP2C9 P11712 1/20 0.32
ABCB11 O95342 1/20 0.32
GABRA2 P47869 1/20 0.32
OPRM1 P35372 5/20 0.32
OPRD1 P41143 4/20 0.32
OPRK1 P41145 4/20 0.32
SLC22A1 O15245 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
SCHEMBL13715844 0.93 TSHR (0.38) TSHRKCNA3GAAALDH1A1L3MBTL1
SCHEMBL7147323 0.90 TSHR (0.33) TSHRALDH1A1L3MBTL1LMNA
SCHEMBL4985817 0.86 TSHR (0.33) TSHRALDH1A1L3MBTL1
SCHEMBL4982916 0.86 POLB (0.34) LMNA
SCHEMBL4987724 0.85 MEN1 (0.32) TSHRALDH1A1L3MBTL1CYP3A4
SCHEMBL4985644 0.85 ALDH1A1 (0.34) TSHRKCNA3GAAALDH1A1L3MBTL1
SCHEMBL13715791 0.85
SCHEMBL4980627 0.85
SCHEMBL977671 0.84 MAPT (0.32) TSHRGAAALDH1A1CYP1A2LMNA
SCHEMBL4983417 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015276-A1 N-alkoxy-4,4-dioxy-polyalkyl-piperidine compounds, their corresponding n-oxides and controlled radical polymerization therewith NESVADBA PETER 2008-01-17 US claimed
US-7288613-B2 N-alkoxy-4,4-dioxy-polyalkyl-piperidine compounds, their corresponding N-oxides and controlled radical polymerization therewith CIBA SPECIALTY CHEMICALS CORP. (US) 2007-10-30 US claimed
US-20060149011-A1 N-alkoxy-4,4-dioxy-polyalkyl-piperidine compounds, their corresponding N-oxides and controlled radical polymerization therewith NESVADBA PETER 2006-07-06 US claimed
US-20040082742-A1 N-alkoxy-4,4-dioxy-polyalkyl-piperidine compounds, their corresponding n-oxides and controlled radical polymerization therewith CIBA SPECIALTY CHEMICALS CORP. 2004-04-29 US claimed
US-7572869-B2 N-alkoxy-4,4-dioxy-polyalkyl-piperidine compounds, their corresponding n-oxides and controlled radical polymerization therewith CIBA SPECIALTY CHEMICALS CORP. (US) 2009-08-11 US disclosed
US-7572869-B2 N-alkoxy-4,4-dioxy-polyalkyl-piperidine compounds, their corresponding n-oxides and controlled radical polymerization therewith CIBA SPECIALTY CHEMICALS CORP. (US) 2009-08-11 US disclosed
US-20080015276-A1 N-alkoxy-4,4-dioxy-polyalkyl-piperidine compounds, their corresponding n-oxides and controlled radical polymerization therewith NESVADBA PETER 2008-01-17 US disclosed
US-20080015276-A1 N-alkoxy-4,4-dioxy-polyalkyl-piperidine compounds, their corresponding n-oxides and controlled radical polymerization therewith NESVADBA PETER 2008-01-17 US disclosed
US-7288613-B2 N-alkoxy-4,4-dioxy-polyalkyl-piperidine compounds, their corresponding N-oxides and controlled radical polymerization therewith CIBA SPECIALTY CHEMICALS CORP. (US) 2007-10-30 US disclosed
US-7288613-B2 N-alkoxy-4,4-dioxy-polyalkyl-piperidine compounds, their corresponding N-oxides and controlled radical polymerization therewith CIBA SPECIALTY CHEMICALS CORP. (US) 2007-10-30 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 (2 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-20060149011-A1 N-alkoxy-4,4-dioxy-polyalkyl-piperidine compounds, their corresponding N-oxides and controlled radical polymerization therewith ALKBH2, ALKBH3, ALKBH5 TSHR 4785/4885KCNA3 211/4885GAA 4059/4885
US-20080015276-A1 N-alkoxy-4,4-dioxy-polyalkyl-piperidine compounds, their corresponding n-oxides and controlled radical polymerization therewith ALKBH2, ALKBH3, ALKBH5 TSHR 4783/4885KCNA3 244/4885GAA 3992/4885

“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.