SCHEMBL6847320

SCHEMBL6847320

O=C(CCN1CCCC1O)c1ccc(Br)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.45
HPGD P15428 2/20 0.44
POLB P06746 2/20 0.44
ALDH1A1 P00352 3/20 0.42
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
DAO P14920 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL6848044 0.85 GSK3B (0.43) GSK3BHPGDPOLBALDH1A1CES2
SCHEMBL6847744 0.81 TERT (0.47) GSK3BHPGDPOLBALDH1A1MEN1
SCHEMBL13518218 0.79 HPGD (0.45) GSK3BHPGDPOLBALDH1A1CES2
SCHEMBL6847731 0.76 KMT2A (0.60) GSK3BHPGDPOLBALDH1A1CES2
Hydrochloric Acid SCHEMBL8821986 0.74 PTGER4 (0.38) GSK3BHPGDPOLBALDH1A1
SCHEMBL15988673 0.73 GSK3B (0.73) GSK3BHPGDPOLBALDH1A1CES2
SCHEMBL6847854 0.72 MEN1 (0.51) GSK3BHPGDPOLBALDH1A1CES2
SCHEMBL13519369 0.72 GSK3B (0.50) GSK3BHPGDPOLBALDH1A1CES2
SCHEMBL6847165 0.72 KMT2A (0.45) GSK3BHPGDPOLBALDH1A1CES2
SCHEMBL11221980 0.71 ACE (0.47) GSK3BHPGDPOLBL3MBTL1

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 2593/4885HPGD 1499/4885POLB 3858/4885

“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.