SCHEMBL4496590

SCHEMBL4496590

CC(C)(Br)C(=O)NCCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.42
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL649228 0.87 POLB (0.39) CNR1ALDH1A1MEN1KMT2AUSP2
SCHEMBL14052421 0.86 PTGS1 (0.47) CNR1ALDH1A1MEN1KMT2APOLB
SCHEMBL280234 0.85 TDP1 (0.52) CNR1ALDH1A1MEN1KMT2APOLB
SCHEMBL3123112 0.80 ALDH1A1 (0.42) CNR1ALDH1A1MEN1KMT2AUSP2
SCHEMBL605200 0.80 POLB (0.46) CNR1ALDH1A1MEN1KMT2AUSP2
SCHEMBL12565674 0.80 ALDH1A1 (0.42) CNR1ALDH1A1MEN1KMT2AUSP2
SCHEMBL13432069 0.80 ALDH1A1 (0.42) CNR1ALDH1A1MEN1KMT2AUSP2
SCHEMBL16268506 0.79 POLB (0.38) CNR1ALDH1A1MEN1KMT2AUSP2
SCHEMBL3711677 0.79 MAOB (0.37) CNR1ALDH1A1MEN1KMT2APOLB
SCHEMBL28029482 0.79 POLB (0.34) CNR1ALDH1A1MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106432557-A HIGH MOLECULAR WEIGHT ZWITTERION-CONTAINING POLYMERS 科迪亚科学企业公司 2017-02-22 CN disclosed
CN-101712646-B Alkoxyamines containing a radically polymerizable group CIBA GEIGY SPECIALTY CHEMICALS 2012-07-11 CN disclosed
CN-101712646-A Alkoxyamines containing a radically polymerizable group CIBA GEIGY SPECIALTY CHEMICALS 2010-05-26 CN disclosed
CN-100586963-C Alkoxyamines containing a radical-polymerizable group CIBA SC HOLDING AG 2010-02-03 CN disclosed
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
CN-1957001-A Alkoxyamines containing a radical-polymerizable group CIBA GEIGY SPECIALTY CHEMICALS (CH) 2007-05-02 CN 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 CNR1 150/4885ALDH1A1 1107/4885MEN1 3739/4885

“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.