SCHEMBL4485645

SCHEMBL4485645

CC(Cl)C(=O)N(CCO)CCO

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MAPT P10636 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ALDH2 P05091 1/20 0.31

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
Diethanolamine SCHEMBL5569921 0.88
SCHEMBL6931377 0.81 MEN1 (0.39) MAPT
SCHEMBL14197152 0.80 MLYCD (0.38) CA12CA1CA2CA9MAPT
SCHEMBL10451818 0.80 CA12 (0.35) CA12CA1CA2CA9
SCHEMBL1399124 0.78 TP53 (0.35) CA12CA1CA2CA9MAPT
SCHEMBL18569530 0.77 L3MBTL1 (0.48) ALDH1A1
SCHEMBL4324459 0.76 CA12 (0.32) CA12CA1CA2CA9MAPT
SCHEMBL2921860 0.75 LMNA (0.39) CA12CA1CA2CA9ALDH1A1
SCHEMBL10671732 0.75 LMNA (0.39) CA12CA1CA2CA9ALDH1A1
SCHEMBL10673924 0.75 LMNA (0.39) CA12CA1CA2CA9ALDH1A1

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 3 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

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 CA12 4645/4885CA1 4834/4885CA2 4685/4885

“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.