SCHEMBL5633799

SCHEMBL5633799

CCOC(Cc1ccc(O)c(Br)c1)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
PPARA Q07869 12/20 0.41
ESR1 P03372 1/20 0.41
PPARG P37231 9/20 0.39
PPARD Q03181 2/20 0.39
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA7 P43166 3/20 0.38
CA9 Q16790 3/20 0.38

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
SCHEMBL5633796 1.00 HDAC1 (0.42) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL3535233 0.88 PPARA (0.39) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL3535238 0.88 PPARA (0.39) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL978301 0.86 ESR1 (0.46) PPARAESR1PPARGPPARDCA12
SCHEMBL6820383 0.83 ALDH1A1 (0.48) PPARAPPARGPPARDCA12CA1
SCHEMBL5343414 0.83 FOLH1 (0.43) PPARAESR1PPARGCA12CA1
SCHEMBL5382457 0.83 CA2 (0.45) PPARAPPARGCA1CA2
SCHEMBL3374631 0.83 PPARA (0.41) PPARAPPARGPPARDCA12CA1
SCHEMBL5391302 0.83 CA2 (0.45) PPARAPPARGCA1CA2
SCHEMBL6715697 0.83 PPARG (0.46) PPARAPPARG

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-7220877-B2 Compounds, their preparation and use NOVO NORDISK A/S (DK) 2007-05-22 US disclosed
EP-1438283-A1 DICARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE NOVO NORDISK A/S (DK) 2004-07-21 EP disclosed
US-20030109579-A1 Novel compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC 2003-06-12 US disclosed
WO-2003033453-A1 DICARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND THERAPEUTICAL USE NOVO NORDISK A/S (DK) 2003-04-24 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-20030109579-A1 Novel compounds, their preparation and use PPARG, PPARA, PPARD HDAC1 278/4885HDAC6 325/4885HDAC3 78/4885

“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.