SCHEMBL6847642

SCHEMBL6847642

CCCCCCN(CCCCCC)CCC(=O)c1ccc(Cl)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.49
THRA P10827 3/20 0.49
GSK3B P49841 1/20 0.47
ICMT O60725 2/20 0.46
ALB P02768 2/20 0.46
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 4/20 0.40
POLB P06746 2/20 0.40
HPGD P15428 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
F2 P00734 1/20 0.40
DAO P14920 1/20 0.40
MAPT P10636 2/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL6847923 0.83 GSK3B (0.51) THRBTHRAGSK3BICMTALB
SCHEMBL6847754 0.82 ACKR3 (0.52) THRBTHRAGSK3BMAPTSMN1; SMN2
SCHEMBL13518484 0.81 GSK3B (0.54) THRBGSK3BMAPK1ALDH1A1POLB
SCHEMBL13563308 0.79 GSK3B (0.49) GSK3BMAPK1ALDH1A1POLBHPGD
SCHEMBL1984819 0.78 GSK3B (0.63) GSK3BMAPK1ALDH1A1POLBHPGD
SCHEMBL6847799 0.77 GSK3B (0.54) THRBTHRAGSK3BICMTALB
Hydrochloric Acid SCHEMBL3507 0.76 MAPK1 (0.59) GSK3BMAPK1ALDH1A1POLBHPGD
SCHEMBL6847704 0.75 ACKR3 (0.47) GSK3BDAOMAPTMEN1KMT2A
SCHEMBL15988636 0.75 GSK3B (0.73) THRBGSK3BMAPK1ALDH1A1POLB
SCHEMBL6848052 0.74 GSK3B (0.53) THRBTHRAGSK3BMAPK1ALDH1A1

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 THRB 3278/4885THRA 3028/4885GSK3B 2593/4885

“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.