SCHEMBL1138697

SCHEMBL1138697

CC1(C)CC(OC(=O)c2ccccc2)CC(C)(C)N1OP(=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.65
KMT2A Q03164 3/20 0.58
GAA P10253 3/20 0.54
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 1/20 0.44
ESR1 P03372 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CHRNA7 P36544 2/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
HTT P42858 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
CARM1 Q86X55 1/20 0.39

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
SCHEMBL10066154 0.83 TSHR (0.42) TSHRKMT2AGAAMEN1ALDH1A1
SCHEMBL7533362 0.81 TSHR (0.75) TSHRKMT2AGAAMEN1ALDH1A1
SCHEMBL1138721 0.81 KMT2A (0.84) TSHRKMT2AGAAMEN1ALDH1A1
SCHEMBL9440204 0.80 TSHR (0.82) TSHRKMT2AGAAMEN1ALDH1A1
SCHEMBL1138526 0.80 TSHR (0.82) TSHRKMT2AGAAMEN1ALDH1A1
SCHEMBL9043360 0.80 TSHR (0.73) TSHRKMT2AGAAMEN1ALDH1A1
SCHEMBL9440201 0.80 TSHR (0.82) TSHRKMT2AGAAMEN1ALDH1A1
SCHEMBL4100153 0.79 TSHR (0.39) TSHRKMT2AMEN1ALDH1A1ESR1
SCHEMBL1138480 0.79 TSHR (1.00) TSHRKMT2AGAAMEN1ALDH1A1
SCHEMBL9040899 0.79 TSHR (0.71) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7956109-B2 Degradation of polypropylene with hydroxylamine ester compositions BASF SE (DE) 2011-06-07 US disclosed
EP-1655303-B1 Process for the Controlled Increase in Molecular Weight of Polyethylene or Polyethylene Blends BASF SE (DE) 2011-02-23 EP disclosed
EP-1655303-B1 Process for the Controlled Increase in Molecular Weight of Polyethylene or Polyethylene Blends BASF SE (DE) 2011-02-23 EP disclosed
US-7579411-B2 Process for the controlled increase in the molecular weight of polyethylenes CIBA SPECIALTY CHEMICALS CORPORATION (US) 2009-08-25 US disclosed
EP-1786861-B1 DEGRADATION OF POLYPROPYLENE WITH HYDROXYLAMINE ESTER COMPOSITIONS CIBA HOLDING INC (CH) 2009-01-07 EP disclosed
US-20080146740-A1 Process for the controlled increase in the molecular weight of polyethylenes ROTH MICHAEL 2008-06-19 US disclosed
US-7358365-B2 Process for the controlled increase in the molecular weight of polyethylenes CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-04-15 US disclosed
US-7358365-B2 Process for the controlled increase in the molecular weight of polyethylenes CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-04-15 US disclosed
US-20080045662-A1 Degradation of Polypropylene with Hydroxylamine Ester Compositions CIBA CORPORATION 2008-02-21 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 TSHR 2473/4885KMT2A 1030/4885GAA 4024/4885

“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.