SCHEMBL6847797

SCHEMBL6847797

CCCCN(CCC(=O)c1ccc(Br)cc1)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 5/20 0.55
THRB P10828 5/20 0.55
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HDAC1 Q13547 4/20 0.46
HDAC3 O15379 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
NCOR2 Q9Y618 2/20 0.46
PKM P14618 1/20 0.46
HDAC6 Q9UBN7 2/20 0.45
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
ACKR3 P25106 1/20 0.44
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43

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
SCHEMBL6847648 0.85 THRA (0.52) THRATHRBL3MBTL1HDAC1HDAC3
SCHEMBL6848131 0.82 BCHE (0.58) THRATHRBTMEM97SIGMAR1HDAC1
SCHEMBL6847750 0.79 ACKR3 (0.52) THRATHRBHDAC1HDAC3HDAC2
SCHEMBL16404282 0.79 GAA (0.49) THRATHRBL3MBTL1HDAC1HDAC3
Acetone SCHEMBL27748254 0.79 MAPT (0.56) HDAC1HDAC3HDAC2HDAC8NCOR2
SCHEMBL6848136 0.78 TMEM97 (0.46) THRATHRBTMEM97L3MBTL1HDAC1
SCHEMBL8725187 0.77 KMT2A (0.59) L3MBTL1HDAC1HDAC3HDAC2HDAC8
SCHEMBL329300 0.77 MAPT (0.66) BCHEACKR3KMT2A
SCHEMBL6847843 0.76 TMEM97 (0.46) THRATHRBTMEM97SIGMAR1L3MBTL1
SCHEMBL11754505 0.76 GSK3B (0.52) THRATHRBL3MBTL1HDAC1HDAC3

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 THRA 3028/4885THRB 3278/4885TMEM97 4553/4885

“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.