SCHEMBL7364137

SCHEMBL7364137

O=C(CCCCCCC(=O)C(F)(F)F)Nc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.74
HDAC4 P56524 4/20 0.74
HDAC1 Q13547 4/20 0.74
HDAC7 Q8WUI4 4/20 0.74
HDAC2 Q92769 4/20 0.74
HDAC10 Q969S8 4/20 0.74
HDAC11 Q96DB2 4/20 0.74
HDAC8 Q9BY41 4/20 0.74
HDAC6 Q9UBN7 4/20 0.74
HDAC9 Q9UKV0 4/20 0.74
HDAC5 Q9UQL6 4/20 0.74
NCOR1 O75376 1/20 0.70
LTA4H P09960 6/20 0.68
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
ALDH1A1 P00352 1/20 0.58
RAB9A P51151 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58

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
SCHEMBL7365012 0.87 HDAC1 (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15480394 0.86 LTA4H (0.76) LTA4HMEN1KMT2AALDH1A1RAB9A
SCHEMBL4075780 0.86 LTA4H (0.84) LTA4HMEN1KMT2AALDH1A1RAB9A
SCHEMBL7371497 0.85 HDAC1 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7373722 0.85 HDAC1 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15480412 0.85 LTA4H (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1172110 0.85 HDAC1 (0.78) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1171545 0.85 HDAC1 (0.78) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7373037 0.84 HDAC4 (0.79) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1172258 0.83 HDAC1 (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2

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 HDAC3 6/4885HDAC4 3/4885HDAC1 1/4885
US-20020177594-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC3 HDAC3 3/4885HDAC4 10/4885HDAC1 1/4885

“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.