SCHEMBL4026717

SCHEMBL4026717

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.37
ESR1 P03372 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
EPHX2 P34913 4/20 0.31
SLC2A1 P11166 1/20 0.31
LMNA P02545 1/20 0.30
HPGD P15428 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
SCHEMBL13216827 0.92 TSHR (0.40) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL4023767 0.91 TSHR (0.43) TSHRKMT2AALDH1A1ESR1HSD17B10
Hydrochloric Acid SCHEMBL9400298 0.90 TSHR (0.42) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL4022364 0.84 SMN1; SMN2 (0.33) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL12862677 0.80 GAA (0.35) KMT2AMEN1GAAS1PR4S1PR1
SCHEMBL9400326 0.80 TSHR (0.50) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL9491179 0.79 S1PR4 (0.36) ESR1GAAS1PR4S1PR1S1PR3
SCHEMBL7976540 0.78 SLC2A1 (0.34) S1PR4S1PR1S1PR3SLC2A1
SCHEMBL12517417 0.77 GNAI3 (0.35) S1PR4S1PR1S1PR3SLC2A1
SCHEMBL1138474 0.77 TSHR (0.46) TSHRKMT2AALDH1A1ESR1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579411-B2 Process for the controlled increase in the molecular weight of polyethylenes CIBA SPECIALTY CHEMICALS CORPORATION (US) 2009-08-25 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-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 TSHR 2473/4885KMT2A 1030/4885ALDH1A1 941/4885

“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.