SCHEMBL3933063

SCHEMBL3933063

CCC1(CC)CC(OCc2ccccc2)(OCc2ccccc2)CC(C)(C)N1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.34
ALDH1A1 P00352 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AMPD2 Q01433 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC6A2 P23975 1/20 0.32
CYP2C19 P33261 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
SCHEMBL13715732 0.69 OPRM1 (0.39) ALDH1A1CYP3A4TSHRMEN1KMT2A
SCHEMBL3918246 0.66 POLB (0.32) DHFRALDH1A1OPRM1OPRD1OPRK1
SCHEMBL562023 0.66 GAA (0.48) ALDH1A1TSHRKMT2AOPRM1OPRL1
Hydrochloric Acid SCHEMBL4438215 0.65 GAA (0.50) ALDH1A1CYP3A4TSHRKDM4EKMT2A
SCHEMBL9394266 0.64 ALDH1A1 (0.40) ALDH1A1TSHRTDP1NPSR1MEN1
SCHEMBL7076809 0.63 TSHR (0.46) ALDH1A1L3MBTL1TSHRMAPK1TDP1
SCHEMBL10942039 0.61 TSHR (0.44) DHFRTSHROPRM1OPRD1OPRK1
SCHEMBL27740111 0.61 ALDH1A1 (0.40) DHFRALDH1A1L3MBTL1TSHRMAPK1
SCHEMBL13651906 0.61 TSHR (0.36) DHFRALDH1A1L3MBTL1TSHRMAPK1
SCHEMBL16026615 0.60 TSHR (0.43) ALDH1A1L3MBTL1TSHRMAPK1TDP1

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-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 claimed
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-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
EP-1343827-A1 N-ALKOXY-4,4-DIOXY-POLYALKYL-PIPERIDINE COMPOUNDS, THEIR CORRESPONDING N-OXIDES AND CONTROLLED RADICAL POLYMERIZATION THEREWITH Ciba SC Holding AG (CH) 2003-09-17 EP claimed
WO-2002048205-A1 N-ALKOXY-4,4-DIOXY-POLYALKYL-PIPERIDINE COMPOUNDS, THEIR CORRESPONDING N-OXIDES AND CONTROLLED RADICAL POLYMERIZATION THEREWITH CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-06-20 WO claimed

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-20080015276-A1 N-alkoxy-4,4-dioxy-polyalkyl-piperidine compounds, their corresponding n-oxides and controlled radical polymerization therewith ALKBH2, ALKBH3, ALKBH5 DHFR 685/4885ALDH1A1 361/4885L3MBTL1 3335/4885

“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.