SCHEMBL4490161

SCHEMBL4490161

CCC1(C)CC(OC(=O)c2ccc(C(=O)OC3CC(C)(CC)N(O)C(C)(CC)C3C)cc2)C(C)C(C)(CC)N1O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
GAA P10253 1/20 0.35
TSHR P16473 2/20 0.34
UBE2D3 P61077 1/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 2/20 0.33
GLA P06280 1/20 0.33
ESR1 P03372 1/20 0.33
HSD17B10 Q99714 1/20 0.33
USP2 O75604 1/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33

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
SCHEMBL11533230 0.94 GAA (0.44) GAATSHR
SCHEMBL7510294 0.87 CYP3A4 (0.42) MAPK1GAATSHRALDH1A1
SCHEMBL272632 0.82 CYP2D6 (0.32)
SCHEMBL11533225 0.81 GAA (0.44) GAATSHR
SCHEMBL11534823 0.81 GAA (0.44) GAATSHR
SCHEMBL272466 0.81 CHRM2 (0.35)
SCHEMBL11533829 0.79 TSHR (0.44) GAATSHR
SCHEMBL11530764 0.79 GAA (0.42) GAATSHR
SCHEMBL11530462 0.78 CHRM1 (0.35)
SCHEMBL11532899 0.77 GAA (0.41) GAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7619050-B2 Alkoxyamines containing a radically polymerizable group CIBA SPECIALTY CHEMICALS CORPORATION (US) 2009-11-17 US disclosed
EP-1749032-B1 ALKOXYAMINES CONTAINING A RADICALLY POLYMERIZABLE GROUP CIBA SC HOLDING AG (CH) 2008-02-27 EP disclosed
US-20070232768-A1 Alkoxyamines Containing a Radically Polymerizable Group CIBA SPECIALTY CHEMICALS CORP. 2007-10-04 US disclosed
EP-1749032-A1 ALKOXYAMINES CONTAINING A RADICALLY POLYMERIZABLE GROUP Ciba Geigy Specialty Chemicals Holding Inc. (CH) 2007-02-07 EP disclosed
WO-2005118651-A1 ALKOXYAMINES CONTAINING A RADICALLY POLYMERIZABLE GROUP CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-12-15 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-20070232768-A1 Alkoxyamines Containing a Radically Polymerizable Group ALKBH3, ALKBH2, ALKBH5 MAPK1 3823/4885GAA 4345/4885TSHR 3987/4885

“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.