SCHEMBL4857142

SCHEMBL4857142

COCCOCCONC(=O)c1cc(F)c(F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.41
HDAC6 Q9UBN7 12/20 0.41
HDAC3 O15379 10/20 0.41
HDAC4 P56524 10/20 0.41
HDAC7 Q8WUI4 10/20 0.41
HDAC2 Q92769 10/20 0.41
HDAC10 Q969S8 10/20 0.41
HDAC11 Q96DB2 10/20 0.41
HDAC8 Q9BY41 10/20 0.41
HDAC9 Q9UKV0 10/20 0.41
HDAC5 Q9UQL6 10/20 0.41
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
KMT2A Q03164 1/20 0.37
ABCB11 O95342 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADRA2B P18089 1/20 0.36
OPRD1 P41143 1/20 0.36
SCN5A Q14524 1/20 0.36
PIM1 P11309 1/20 0.35

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
SCHEMBL4852683 0.95 HDAC1 (0.43) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL4862621 0.85 KMT2A (0.42) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL4859235 0.80 CES2 (0.46) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL4863430 0.78 MAP2K1 (0.49) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL6295267 0.77 PIM1 (0.46) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL6291248 0.76 NPC1 (0.56) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL6295843 0.75 CES2 (0.44) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL4860610 0.74 CES2 (0.40) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL4856514 0.74 CES2 (0.40) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL4859968 0.73 MAPK1 (0.39) HDAC1HDAC6HDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7411001-B2 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY (US) 2008-08-12 US disclosed
US-20050176820-A1 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY 2005-08-11 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-20050176820-A1 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids CYP4X1, CYP2A7, CYP4B1 HDAC1 1778/4885HDAC6 1457/4885HDAC3 903/4885

“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.