SCHEMBL4022364

SCHEMBL4022364

CC(C)(C)C(=O)ON1C(C)(C)CC(NCCCCCCNC2CC(C)(C)N(OC(=O)C(C)(C)C)C(C)(C)C2)CC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
EPHX2 P34913 1/20 0.32
TSHR P16473 2/20 0.32
KMT2A Q03164 2/20 0.32
S1PR4 O95977 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ESR1 P03372 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 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
SCHEMBL4018833 0.92 S1PR4 (0.33) SMN1; SMN2EPHX2TSHRKMT2AS1PR4
SCHEMBL13483861 0.86
SCHEMBL19239572 0.84 S1PR4 (0.31) S1PR4S1PR1S1PR3
SCHEMBL4026717 0.84 TSHR (0.45) SMN1; SMN2EPHX2TSHRKMT2AS1PR4
SCHEMBL14224277 0.78
SCHEMBL1139079 0.78 SMN1; SMN2 (0.40) SMN1; SMN2TSHRKMT2AALDH1A1ESR1
SCHEMBL12862677 0.77 GAA (0.35) EPHX2KMT2AS1PR4S1PR1S1PR3
SCHEMBL13216827 0.77 TSHR (0.40) EPHX2TSHRKMT2AS1PR4S1PR1
SCHEMBL6298437 0.77 SLC2A1 (0.30) S1PR4S1PR1S1PR3
SCHEMBL12862768 0.76 KMT2A (0.43) SMN1; SMN2EPHX2TSHRKMT2AALDH1A1

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 29 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-7947767-B2 Electret materials BASF SE (DE) 2011-05-24 US disclosed
US-7947767-B2 Electret materials BASF SE (DE) 2011-05-24 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
US-20100210800-A1 METHOD OF PREPARING ETHYLENE POLYMERS BY CONTROLLED HIGH PRESSURE POLYMERIZATION CIBA CORPORATION (US) 2010-08-19 US disclosed
US-20100210800-A1 METHOD OF PREPARING ETHYLENE POLYMERS BY CONTROLLED HIGH PRESSURE POLYMERIZATION CIBA CORPORATION (US) 2010-08-19 US disclosed
US-20100112886-A1 Electret Materials BASF SE (DE) 2010-05-06 US 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
WO-2007115963-A1 ELECTRET MATERIALS CIBA HOLDING INC. (CH) 2007-10-18 WO disclosed
US-20070235903-A1 Electret materials CIBA CORPORATION 2007-10-11 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

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 4814/4885EPHX2 98/4885TSHR 2473/4885

“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.