SCHEMBL6848044

SCHEMBL6848044

O=C(CCN1CCCC1CO)c1ccc(Br)s1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.43
HPGD P15428 2/20 0.43
POLB P06746 1/20 0.43
TERT O14746 3/20 0.42
SPHK2 Q9NRA0 2/20 0.40
SPHK1 Q9NYA1 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
DAO P14920 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6847744 0.96 TERT (0.47) GSK3BHPGDPOLBTERTSPHK2
SCHEMBL6847320 0.85 GSK3B (0.45) GSK3BHPGDPOLBALDH1A1MEN1
SCHEMBL13518082 0.80 HPGD (0.43) GSK3BHPGDPOLBALDH1A1MEN1
SCHEMBL13562556 0.78 KMT2A (0.61) HPGDPOLBTERTALDH1A1MEN1
SCHEMBL6847731 0.74 KMT2A (0.60) GSK3BHPGDPOLBALDH1A1MEN1
SCHEMBL13519369 0.73 GSK3B (0.50) GSK3BHPGDPOLBALDH1A1MEN1
SCHEMBL6847165 0.72 KMT2A (0.45) GSK3BHPGDPOLBALDH1A1MEN1
Hydrochloric Acid SCHEMBL8821986 0.72 PTGER4 (0.38) GSK3BHPGDPOLBALDH1A1
SCHEMBL15988673 0.71 GSK3B (0.73) GSK3BHPGDPOLBALDH1A1MEN1
SCHEMBL6847854 0.70 MEN1 (0.51) GSK3BHPGDPOLBALDH1A1MEN1

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.