SCHEMBL805184

SCHEMBL805184

Cc1coc(-c2coc(-c3coc(C(NC(=O)c4coc(-c5coc(-c6coc(C(N)C(C)C)n6)n5)n4)C(C)C)n3)n2)n1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.33
HDAC8 Q9BY41 3/20 0.33
HDAC6 Q9UBN7 3/20 0.33
C3AR1 Q16581 5/20 0.32
IRAK4 Q9NWZ3 3/20 0.31
PDE2A O00408 1/20 0.30
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
ELANE P08246 1/20 0.30

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
SCHEMBL800524 0.91 C3AR1 (0.34) HDAC1HDAC8HDAC6C3AR1ELANE
SCHEMBL800942 0.89 HDAC1 (0.33) HDAC1HDAC8HDAC6C3AR1
SCHEMBL805242 0.87 C3AR1 (0.31) C3AR1
SCHEMBL5065373 0.79 C3AR1 (0.40) HDAC1HDAC8HDAC6C3AR1PDE2A
SCHEMBL800522 0.78 HDAC1 (0.37) HDAC1HDAC8HDAC6C3AR1PDE2A
SCHEMBL800486 0.78 HDAC1 (0.34) HDAC1HDAC8HDAC6
SCHEMBL805240 0.74 C3AR1 (0.43) HDAC1HDAC8HDAC6C3AR1
SCHEMBL800804 0.73 CTSL (0.39) HDAC1HDAC8HDAC6ELANE
SCHEMBL805225 0.70 C3AR1 (0.42) C3AR1
SCHEMBL800483 0.69 C3AR1 (0.42) C3AR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071527-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-22 US 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-20120071527-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, TOP1 HDAC1 474/4885HDAC8 812/4885HDAC6 337/4885

“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.