SCHEMBL1139079

SCHEMBL1139079

CC(=O)NC1CC(C)(C)N(OC(=O)C(C)(C)C)C(C)(C)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 2/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ESR1 P03372 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
ATM Q13315 1/20 0.31
TACR1 P25103 1/20 0.30
TACR3 P29371 1/20 0.30

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
SCHEMBL1138474 0.83 TSHR (0.46) SMN1; SMN2TSHRKMT2AALDH1A1ESR1
SCHEMBL2857927 0.81 SMN1; SMN2 (0.37) SMN1; SMN2TSHRKMT2AGAA
SCHEMBL18217967 0.78 SMN1; SMN2 (0.36) SMN1; SMN2TSHRKMT2AALDH1A1KDM4E
SCHEMBL4022364 0.78 SMN1; SMN2 (0.33) SMN1; SMN2TSHRKMT2AALDH1A1ESR1
SCHEMBL13110328 0.76 TSHR (0.56) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL4018833 0.76 S1PR4 (0.33) SMN1; SMN2TSHRKMT2A
SCHEMBL1138561 0.76 TSHR (0.44) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL4325797 0.76 TSHR (0.38) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL1232474 0.75 SMN1; SMN2 (0.36) SMN1; SMN2TSHRKMT2AGAATACR1
SCHEMBL4982955 0.74 ALDH1A1 (0.36) SMN1; SMN2TSHRKMT2AALDH1A1KDM4E

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732168-B2 Method of preparing ethylene polymers by controlled high pressure polymerization BASF SE (DE) 2017-08-15 US disclosed
US-9732168-B2 Method of preparing ethylene polymers by controlled high pressure polymerization BASF SE (DE) 2017-08-15 US disclosed
US-20130150542-A1 Method Of Preparing Ethylene Polymers By Controlled High Pressure Polymerization BASF SE (DE) 2013-06-13 US disclosed
US-20130150542-A1 Method Of Preparing Ethylene Polymers By Controlled High Pressure Polymerization BASF SE (DE) 2013-06-13 US disclosed
US-8168725-B2 Degradation of polypropylene with hydroxylamine ester compositions BASF SE (DE) 2012-05-01 US disclosed
US-8168725-B2 Degradation of polypropylene with hydroxylamine ester compositions BASF SE (DE) 2012-05-01 US disclosed
US-20110207892-A1 DEGRADATION OF POLYPROPYLENE WITH HYDROXYLAMINE ESTER COMPOSITIONS ROTH MICHAEL 2011-08-25 US disclosed
US-20110207892-A1 DEGRADATION OF POLYPROPYLENE WITH HYDROXYLAMINE ESTER COMPOSITIONS ROTH MICHAEL 2011-08-25 US disclosed
US-7956109-B2 Degradation of polypropylene with hydroxylamine ester compositions BASF SE (DE) 2011-06-07 US disclosed
US-7956109-B2 Degradation of polypropylene with hydroxylamine ester compositions BASF SE (DE) 2011-06-07 US disclosed
EP-1404729-B1 METHOD OF GRAFTING ETHYLENICALLY UNSATURATED CARBOXYLIC ACID DERIVATIVES ONTO THERMOPLASTIC POLYMERS USING HYDROXYLAMINE ESTERS CIBA SC HOLDING AG (CH) 2007-11-21 EP disclosed
US-7230042-B2 Flame retardant polymer compositions containing hydroxylamine esters CIBA SPECIALTY CHEMICALS CORP. (US) 2007-06-12 US disclosed
US-7230042-B2 Flame retardant polymer compositions containing hydroxylamine esters CIBA SPECIALTY CHEMICALS CORP. (US) 2007-06-12 US disclosed
US-20060128903-A1 Process for the controlled increase in the molecular weight of polyethylenes ROTH MICHAEL 2006-06-15 US disclosed
EP-1282630-B1 Process for Reducing the Molecular Weight of Polypropylene Using Hydroxylamine Esters CIBA SC HOLDING AG (CH) 2006-05-10 EP disclosed
EP-1655303-A2 Hydroxylamine esters as polimerization initiators Ciba SC Holding AG (CH) 2006-05-10 EP disclosed
US-7030196-B2 Process for reducing the molecular weight of polypropylene CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-04-18 US disclosed
US-20030216494-A1 Hydroxylamine esters as polymerization initiators CIBA SPECIALTY CHEMICALS CORP. 2003-11-20 US disclosed
EP-1282630-A1 HYDROXYLAMINE ESTERS AS POLYMERIZATION INITIATORS Ciba SC Holding AG (CH) 2003-02-12 EP disclosed
WO-2001090113-A1 HYDROXYLAMINE ESTERS AS POLYMERIZATION INITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-11-29 WO 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 (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-20030216494-A1 Hydroxylamine esters as polymerization initiators PNMT, HPGDS, HAAO SMN1; SMN2 4814/4885TSHR 2473/4885KMT2A 1030/4885

“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.