SCHEMBL6847754

SCHEMBL6847754

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 6/20 0.52
BCHE P06276 2/20 0.42
ACHE P22303 1/20 0.42
GSK3B P49841 1/20 0.41
THRB P10828 2/20 0.41
THRA P10827 1/20 0.41
HDAC3 O15379 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
NCOR2 Q9Y618 2/20 0.40
MAPT P10636 3/20 0.40
TP53 P04637 2/20 0.40
RORC P51449 1/20 0.40
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39

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
SCHEMBL6847704 0.89 ACKR3 (0.47) ACKR3BCHEACHEGSK3BMAPT
SCHEMBL13562710 0.86 GSK3B (0.44) ACKR3ACHEGSK3BTHRBHDAC3
SCHEMBL6847750 0.86 ACKR3 (0.52) ACKR3BCHEACHEGSK3BTHRB
SCHEMBL6847642 0.82 THRB (0.49) GSK3BTHRBTHRAMAPTSMN1; SMN2
SCHEMBL6847618 0.81 HDAC3 (0.48) ACKR3GSK3BHDAC3HDAC1HDAC4
SCHEMBL6847793 0.78 GSK3B (0.43) GSK3BTHRBHDAC3HDAC1MAPT
SCHEMBL13562708 0.78 ACKR3 (0.48) ACKR3GSK3BTHRBHDAC3HDAC1
SCHEMBL27432330 0.76 GSK3B (0.59) GSK3BMAPT
Acetone SCHEMBL27748254 0.76 MAPT (0.56) ACKR3BCHEACHEHDAC3HDAC1
SCHEMBL6848136 0.75 TMEM97 (0.46) ACKR3BCHEACHETHRBTHRA

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.