SCHEMBL6847704

SCHEMBL6847704

CCN(CCC(=O)c1ccc(Cl)s1)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
KDM4E B2RXH2 1/20 0.45
GSK3B P49841 1/20 0.44
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MAOB P27338 1/20 0.41
APP P05067 3/20 0.41
DAO P14920 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6847754 0.89 ACKR3 (0.52) ACKR3BCHEACHEGSK3BMAPT
SCHEMBL13562710 0.87 GSK3B (0.44) ACKR3ACHEGSK3BMAPTMEN1
SCHEMBL6847657 0.86 ACKR3 (0.48) ACKR3BCHEACHEKDM4EMAPT
SCHEMBL6847641 0.85 ACKR3 (0.50) ACKR3BCHEACHEKDM4EGSK3B
SCHEMBL6847618 0.84 HDAC3 (0.48) ACKR3GSK3BKMT2ASMN1; SMN2
SCHEMBL13563308 0.81 GSK3B (0.49) KDM4EGSK3BMAPTMEN1KMT2A
SCHEMBL13562708 0.81 ACKR3 (0.48) ACKR3GSK3BMAPTMEN1KMT2A
SCHEMBL6847793 0.81 GSK3B (0.43) GSK3BMAPTMEN1KMT2ADAO
SCHEMBL13562691 0.79 ALDH1A1 (0.53) BCHEACHEKDM4EMAPTMEN1
SCHEMBL6847468 0.76 GSK3B (0.53) ACKR3GSK3BMAPTMEN1KMT2A

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 5 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
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 ACKR3 4329/4885BCHE 2372/4885ACHE 2107/4885

“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.