SCHEMBL976804

SCHEMBL976804

CC(ON1C(C)(C)CC2(CC1(C)C)OCC(C)(C)CO2)c1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.38
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
PTGS1 P23219 4/20 0.34
PTGS2 P35354 4/20 0.34
ALOX5 P09917 1/20 0.34
ALDH1A1 P00352 5/20 0.33
HPGD P15428 4/20 0.33
TSHR P16473 2/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 2/20 0.33
CXCR1 P25024 2/20 0.33
CXCR2 P25025 2/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RECQL P46063 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL12922181 0.89 ELANE (0.35) ELANEACACBACACAPTGS1PTGS2
SCHEMBL13715800 0.87 HSD11B1 (0.31)
SCHEMBL975149 0.84 LMNA (0.34) ELANEACACBALDH1A1HPGDTSHR
SCHEMBL13715897 0.84 HCAR2 (0.33) ALOX5ALDH1A1TSHRKMT2AMAPT
SCHEMBL976664 0.82 HSD11B1 (0.32)
SCHEMBL7475069 0.80 CYP2D6 (0.30)
SCHEMBL13715841 0.79 KMT2A (0.36) ALDH1A1TSHRKMT2ASMN1; SMN2MAPT
SCHEMBL4980627 0.77
SCHEMBL13715821 0.77 ALDH1A1 (0.37) ALDH1A1TSHRKMT2ASMN1; SMN2MAPT
SCHEMBL13715803 0.77 ALDH1A1 (0.32) ALDH1A1TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868171-B2 N-alkoxy-4, 4-dioxy-polyalkyl-piperidines as radical polymerization initiators CIBA SPECIALTY CHEMICALS CORP. (US) 2011-01-11 US disclosed
US-20070173570-A1 N-alkoxy-4, 4-dioxy-polyalkyl-piperidine compounds, with glycidyl or alkylcarbonyl groups as functional initiators for controlled radical polymerization FUSO FRANCESCO 2007-07-26 US disclosed
US-7235663-B2 N-alkoxy-4,4-dioxy-polyalkyl-piperidines as radical polymerization inhibitors CIBA SPECIALTY CHEMICALS CORP. (US) 2007-06-26 US disclosed
EP-1341763-B1 N-ALKOXY-4,4-DIOXY-POLYALKYL-PIPERIDINE COMPOUNDS, WITH GLYCIDYL OR ALKYLCARBONYL GROUPS AS FUNCTIONAL INITIATORS FOR CONTROLLED RADICAL POLYMERIZATION CIBA SC HOLDING AG (CH) 2004-06-16 EP disclosed
US-20040049043-A1 N-alkoxy-4,4-dioxy-polyalkyl-piperidine compounds, with glycidyl or alkylcarbonyl groups as functional initiators for controlled radical polymerization CIBA SPECIALTY CHEMICALS CORP. 2004-03-11 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-20070173570-A1 N-alkoxy-4, 4-dioxy-polyalkyl-piperidine compounds, with glycidyl or alkylcarbonyl groups as functional initiators for controlled radical polymerization PTGER4, ALKBH3, PIGO ELANE 3247/4885ACACB 1409/4885ACACA 1706/4885
US-20040049043-A1 N-alkoxy-4,4-dioxy-polyalkyl-piperidine compounds, with glycidyl or alkylcarbonyl groups as functional initiators for controlled radical polymerization PAOX, ALKBH3, PTGER4 ELANE 3638/4885ACACB 1450/4885ACACA 1956/4885

“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.