SCHEMBL6847799

SCHEMBL6847799

CCCCN(CCCC)CCC(=O)c1ccc(Br)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.54
THRA P10827 2/20 0.48
THRB P10828 2/20 0.48
NPSR1 Q6W5P4 5/20 0.45
KMT2A Q03164 5/20 0.45
MAPT P10636 3/20 0.45
JAK2 O60674 1/20 0.45
MITF O75030 1/20 0.45
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
DAO P14920 1/20 0.42
RXFP1 Q9HBX9 2/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ESR1 P03372 2/20 0.41
ALDH1A1 P00352 2/20 0.40
ICMT O60725 1/20 0.39
ALB P02768 1/20 0.39
MEN1 O00255 2/20 0.39
RAB9A P51151 2/20 0.39

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
SCHEMBL13562728 0.95 GSK3B (0.49) GSK3BTHRATHRBNPSR1KMT2A
SCHEMBL6847923 0.94 GSK3B (0.51) GSK3BTHRATHRBNPSR1KMT2A
SCHEMBL6847750 0.87 ACKR3 (0.52) GSK3BTHRATHRBNPSR1KMT2A
SCHEMBL12541939 0.84 GSK3B (0.59) GSK3BNPSR1KMT2AMAPTJAK2
SCHEMBL13517467 0.84 GSK3B (0.53) GSK3BNPSR1KMT2AMAPTCES2
SCHEMBL13562747 0.83 GSK3B (0.59) GSK3BNPSR1KMT2AMAPTCES2
SCHEMBL13562752 0.83 GSK3B (0.51) GSK3BNPSR1KMT2AMAPTCES2
SCHEMBL28382588 0.83 GSK3B (0.58) GSK3BNPSR1KMT2AMAPTJAK2
SCHEMBL13517867 0.82 GSK3B (0.54) GSK3BNPSR1KMT2AMAPTJAK2
SCHEMBL2009655 0.81 GSK3B (0.56) GSK3BNPSR1KMT2AMAPTJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937091-B2 Inhibitor of protein crosslinking and use of the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-01-20 US disclosed
US-8937091-B2 Inhibitor of protein crosslinking and use of the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-01-20 US disclosed
US-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY 2012-11-01 US disclosed
WO-2011055561-A1 PROTEIN CROSSLINKING INHIBITOR AND USE THEREOF 独立行政法人科学技術振興機構 (JP) 2011-05-12 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-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME ARGLU1, F12, CDKL1 GSK3B 2593/4885THRA 3028/4885THRB 3278/4885

“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.