SCHEMBL5560906

SCHEMBL5560906

COc1ccc(-n2c(-c3cccc(/C=C/C(=O)O)c3)nc3ccccc32)cc1

nearest known ligand 0.82

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.82
HDAC8 Q9BY41 16/20 0.82
HDAC6 Q9UBN7 16/20 0.82
ALDH1A1 P00352 1/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL5560908 1.00 HDAC1 (0.82) HDAC1HDAC8HDAC6ALDH1A1ESR1
SCHEMBL8249069 0.92 HDAC1 (0.82) HDAC1HDAC8HDAC6
SCHEMBL5566198 0.91 HDAC1 (0.70) HDAC1HDAC8HDAC6ESR1ESR2
SCHEMBL5566196 0.91 HDAC1 (0.70) HDAC1HDAC8HDAC6ESR1ESR2
SCHEMBL5566274 0.90 HDAC1 (1.00) HDAC1HDAC8HDAC6
SCHEMBL5566278 0.90 HDAC1 (1.00) HDAC1HDAC8HDAC6
SCHEMBL8243328 0.89 HDAC1 (0.88) HDAC1HDAC8HDAC6
SCHEMBL5567187 0.87 HDAC1 (0.81) HDAC1HDAC8HDAC6ESR1ESR2
SCHEMBL5567183 0.87 HDAC1 (0.81) HDAC1HDAC8HDAC6ESR1ESR2
SCHEMBL5560952 0.87 HDAC1 (0.64) HDAC1HDAC8HDAC6ALDH1A1ESR1

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-7169801-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2007-01-30 US claimed
US-20040266769-A1 Histone deacetylase inhibitors SYRRX, INC. 2004-12-30 US claimed
US-7169801-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2007-01-30 US disclosed
US-20040266769-A1 Histone deacetylase inhibitors SYRRX, INC. 2004-12-30 US disclosed
WO-2004082638-A2 HISTONE DEACETYLASE INHIBITORS SYRRX, INC. (US) 2004-09-30 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-20040266769-A1 Histone deacetylase inhibitors HDAC1, HDAC11, HDAC10 HDAC1 1/4885HDAC8 10/4885HDAC6 11/4885

“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.