SCHEMBL4797945

SCHEMBL4797945

CCC1(CC)CC(OC(=O)c2ccccc2)CC(C)(C)N1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
GAA P10253 2/20 0.56
KMT2A Q03164 3/20 0.53
HTT P42858 1/20 0.49
MEN1 O00255 1/20 0.46
CHRNA7 P36544 4/20 0.45
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
MAPT P10636 1/20 0.43
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40

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
SCHEMBL7190461 0.92 GAA (0.57) TSHRGAAKMT2AMEN1CHRNA7
SCHEMBL243559 0.88 TSHR (0.70) TSHRGAAKMT2AHTTMEN1
SCHEMBL4797939 0.87 TSHR (0.60) TSHRGAAKMT2AHTTMEN1
SCHEMBL9065750 0.81 TSHR (0.65) TSHRGAAKMT2AHTTMEN1
SCHEMBL1535633 0.80 GAA (0.61) TSHRGAAKMT2AHTTMEN1
SCHEMBL28462516 0.80 TSHR (0.57) TSHRGAAKMT2AHTTMEN1
SCHEMBL7857242 0.80 TSHR (0.67) TSHRGAAKMT2AHTTMEN1
SCHEMBL24843910 0.80 TSHR (0.56) TSHRGAAKMT2AHTTMEN1
SCHEMBL4804356 0.79 TSHR (0.57) TSHRGAAKMT2AMEN1CHRNA7
SCHEMBL27490246 0.79 TSHR (0.57) TSHRGAAKMT2AHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402639-B2 1-alkoxy-polyalkyl-piperidine derivatives and their use as polymerization regulators CIBA SPECIALTY CHEMICALS CORP. (US) 2008-07-22 US disclosed
EP-1873199-A1 In-can stabilizers Ciba Specialty Chemicals Holding Inc. (CH) 2008-01-02 EP disclosed
US-20070225397-A1 In-Can Stabilizers CIBA SPECIALTY CHEMICALS CORP. 2007-09-27 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
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

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 4811/4885GAA 3127/4885KMT2A 3106/4885
US-20020107397-A1 1-alkoxy-polyalkyl-piperidine derivatives and their use as polymerization regulators CBR1, PYM1, ELOC TSHR 4803/4885GAA 2233/4885KMT2A 3370/4885
US-20030220423-A1 1-alkoxy-polyalkyl-piperidine derivatives and their use as polymerization regulators PYM1, ELOC, CBR1 TSHR 4813/4885GAA 2416/4885KMT2A 3222/4885

“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.