SCHEMBL7366594

SCHEMBL7366594

COC(=O)C(=O)CCCCCCC(=O)Nc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.68
HDAC2 Q92769 17/20 0.68
HDAC4 P56524 16/20 0.68
HDAC11 Q96DB2 16/20 0.68
HDAC8 Q9BY41 16/20 0.68
HDAC6 Q9UBN7 16/20 0.68
HDAC5 Q9UQL6 16/20 0.68
HDAC3 O15379 16/20 0.68
HDAC7 Q8WUI4 15/20 0.68
HDAC9 Q9UKV0 15/20 0.68
HDAC10 Q969S8 15/20 0.68
NCOR1 O75376 2/20 0.64
KDM4E B2RXH2 1/20 0.64
BRD4 O60885 1/20 0.64
NR1I2 O75469 1/20 0.64
EGFR P00533 1/20 0.64
CYP3A4 P08684 1/20 0.64
LTA4H P09960 1/20 0.64
NR0B1 P51843 1/20 0.64
PLK1 P53350 1/20 0.64

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
SCHEMBL7368415 0.88 HDAC1 (0.73) HDAC1HDAC2HDAC4HDAC11HDAC8
SCHEMBL21596220 0.85 ALOX5 (0.58) HDAC1HDAC2HDAC4HDAC11HDAC8
SCHEMBL1065393 0.85 HDAC4 (0.85) HDAC1HDAC2HDAC4HDAC11HDAC8
SCHEMBL6665592 0.85 HDAC4 (0.85) HDAC1HDAC2HDAC4HDAC11HDAC8
SCHEMBL6669511 0.85 HDAC4 (0.85) HDAC1HDAC2HDAC4HDAC11HDAC8
SCHEMBL137348 0.85 HDAC4 (0.85) HDAC1HDAC2HDAC4HDAC11HDAC8
SCHEMBL313148 0.84 HDAC4 (0.68) HDAC1HDAC2HDAC4HDAC11HDAC8
SCHEMBL21596202 0.83 ALOX5 (0.59) HDAC1HDAC2HDAC4HDAC11HDAC8
SCHEMBL517309 0.83 HDAC4 (0.81) HDAC1HDAC2HDAC4HDAC11HDAC8
SCHEMBL10198760 0.83 HDAC1 (0.66) HDAC1HDAC2HDAC4HDAC11HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020103192-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-08-01 US claimed
US-20020177594-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-11-28 US disclosed
US-20020103192-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-08-01 US disclosed
WO-2002046129-A2 INHIBITORS OF HISTONE DEACETYLASE ABBOTT LABORATORIES (US) 2002-06-13 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 (2 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-20020103192-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC4 HDAC1 1/4885HDAC2 7/4885HDAC4 3/4885
US-20020177594-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC3 HDAC1 1/4885HDAC2 4/4885HDAC4 10/4885

“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.