SCHEMBL4804356

SCHEMBL4804356

CCC1(CC)CC(OC(=O)c2ccccc2)CC(C)(C)N1OC(C)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
KMT2A Q03164 3/20 0.51
GAA P10253 2/20 0.47
CHRNA7 P36544 4/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ESR1 P03372 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2D6 P10635 1/20 0.38
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
LMNA P02545 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
BCHE P06276 1/20 0.36

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
SCHEMBL5345275 0.94 TSHR (0.50) TSHRKMT2AGAACHRNA7HTR3E
SCHEMBL5340974 0.91 TSHR (0.47) TSHRKMT2AGAACHRNA7HTR3E
SCHEMBL9244017 0.90 TSHR (0.65) TSHRKMT2AGAACHRNA7HTR3E
SCHEMBL5342996 0.89 KMT2A (0.53) TSHRKMT2AGAAMEN1ALDH1A1
SCHEMBL5353320 0.89 TSHR (0.43) TSHRKMT2AGAAHTR3EHTR3B
SCHEMBL5347557 0.88 KMT2A (0.41) TSHRKMT2AGAAMEN1ALDH1A1
SCHEMBL5344687 0.88 TSHR (0.41) TSHRKMT2AGAAMEN1ALDH1A1
SCHEMBL7480885 0.88 TSHR (0.62) TSHRKMT2AGAACHRNA7HTR3E
SCHEMBL5347583 0.87 TSHR (0.41) TSHRKMT2AGAAMEN1ALDH1A1
SCHEMBL5347126 0.87 KMT2A (0.41) TSHRKMT2AGAAMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6891008-B2 2,2,6,6 diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides CIBA SPECIALTY CHEMICALS CORP. (US) 2005-05-10 US claimed
US-6624306-B2 Stabilizer for addition polymer CIBA SPECIALTY CHEMICALS CORPORATION 2003-09-23 US claimed
US-7402639-B2 1-alkoxy-polyalkyl-piperidine derivatives and their use as polymerization regulators CIBA SPECIALTY CHEMICALS CORP. (US) 2008-07-22 US disclosed
US-7402639-B2 1-alkoxy-polyalkyl-piperidine derivatives and their use as polymerization regulators CIBA SPECIALTY CHEMICALS CORP. (US) 2008-07-22 US disclosed
US-7402639-B2 1-alkoxy-polyalkyl-piperidine derivatives and their use as polymerization regulators CIBA SPECIALTY CHEMICALS CORP. (US) 2008-07-22 US disclosed
US-6927295-B2 A polymerization catalyst for free radical polymerization of ethylenically unsaturated monomers CIBA SPECIALTY CHEMICALS CORP. (US) 2005-08-09 US disclosed
US-20050131177-A1 1-Alkoxy-polyalkyl-piperidine derivatives and their use as polymerization regulators KRAMER ANDREAS (SE) 2005-06-16 US disclosed
CN-1171871-C 1-alkoxy-polyalkyl-piperidine derivatives and their use as polymerization regulators �������⻯ѧƷ�ع����޹�˾ 2004-10-20 CN disclosed
US-6683142-B2 PROVIDE POLYMERIC RESIN PRODUCTS HAVING LOW POLYDISPERSITY. CIBA SPECIALTY CHEMICALS CORPORATION 2004-01-27 US disclosed
US-20030220423-A1 1-alkoxy-polyalkyl-piperidine derivatives and their use as polymerization regulators KRAMER ANDREAS (CH) 2003-11-27 US disclosed
US-20020107397-A1 1-alkoxy-polyalkyl-piperidine derivatives and their use as polymerization regulators KRAMER ANDREAS (CH) 2002-08-08 US disclosed
US-6353107-B1 FREE RADICAL CATALYSTS FOR ADDITION POLYMERIZATION; NARROW MOLECULAR WEIGHT DISTRIBUTION; HIGH PURITY AND COLORLESS CIBA SPECIALTY CHEMICALS CORPORATION 2002-03-05 US disclosed
CN-1228424-A 1-alkoxy-polyalkyl-piperidine derivatives and their use as polymerization regulators CIBA SC HOLDING AG (CH) 1999-09-15 CN 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-20050131177-A1 1-Alkoxy-polyalkyl-piperidine derivatives and their use as polymerization regulators PYM1, PTGER1, CBR1 TSHR 4811/4885KMT2A 3106/4885GAA 3127/4885
US-20020107397-A1 1-alkoxy-polyalkyl-piperidine derivatives and their use as polymerization regulators CBR1, PYM1, ELOC TSHR 4803/4885KMT2A 3370/4885GAA 2233/4885
US-20030220423-A1 1-alkoxy-polyalkyl-piperidine derivatives and their use as polymerization regulators PYM1, ELOC, CBR1 TSHR 4813/4885KMT2A 3222/4885GAA 2416/4885

“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.