SCHEMBL6847744

SCHEMBL6847744

O=C(CCN1CCCCC1CO)c1ccc(Br)s1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TERT O14746 5/20 0.47
HPGD P15428 2/20 0.45
POLB P06746 2/20 0.45
GSK3B P49841 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
LTA4H P09960 1/20 0.37
SPHK2 Q9NRA0 2/20 0.37
SPHK1 Q9NYA1 2/20 0.37

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 0.96 GSK3B (0.43) TERTHPGDPOLBGSK3BALDH1A1
SCHEMBL13562556 0.81 KMT2A (0.61) TERTHPGDPOLBALDH1A1MEN1
SCHEMBL6847320 0.81 GSK3B (0.45) HPGDPOLBGSK3BALDH1A1MEN1
SCHEMBL13518082 0.76 HPGD (0.43) HPGDPOLBGSK3BALDH1A1MEN1
SCHEMBL6847731 0.76 KMT2A (0.60) HPGDPOLBGSK3BALDH1A1MEN1
Hydrochloric Acid SCHEMBL8821986 0.76 PTGER4 (0.38) HPGDPOLBGSK3BALDH1A1
SCHEMBL13562649 0.73 TERT (0.50) TERTHPGDALDH1A1MEN1KMT2A
SCHEMBL13519369 0.72 GSK3B (0.50) HPGDPOLBGSK3BALDH1A1MEN1
SCHEMBL6847165 0.72 KMT2A (0.45) HPGDPOLBGSK3BALDH1A1MEN1
SCHEMBL15988673 0.70 GSK3B (0.73) HPGDPOLBGSK3BALDH1A1MEN1

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 TERT 2417/4885HPGD 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.