SCHEMBL4575322

SCHEMBL4575322

O=C(CC(=O)C1CC1)c1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.52
HAO1 Q9UJM8 1/20 0.50
HDAC1 Q13547 3/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC3 O15379 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
OGG1 O15527 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.45
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
KMT2A Q03164 1/20 0.42

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
SCHEMBL19806141 0.81 PLOD2 (0.53) SMN1; SMN2MAPTKMT2A
SCHEMBL19806639 0.81 ERCC5 (0.55) GSK3BPOLBMAPTCES2CES1
SCHEMBL9722483 0.81 MEN1 (0.61) GSK3BHAO1SMN1; SMN2MAPTCES1
SCHEMBL4251157 0.81 MEN1 (0.61) GSK3BHAO1SMN1; SMN2MAPTCES1
SCHEMBL1305020 0.80 GSK3B (0.70) GSK3BHAO1HDAC1HDAC8HDAC3
SCHEMBL11837626 0.78 PLOD2 (0.56) MAPT
SCHEMBL8045062 0.77 HAO1 (0.36) HAO1HDAC6SMN1; SMN2MAPTCES1
SCHEMBL8109524 0.77 HAO1 (0.54) HAO1SMN1; SMN2
SCHEMBL18629798 0.77 NPC1 (0.57) GSK3BHDAC1HDAC8HDAC3HDAC2
SCHEMBL8813464 0.77 HPGD (0.42) POLBMAPTKMT2A

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-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-20050137212-A1 Hppars activators SMITHKLINE BEECHAM CORPORATION 2005-06-23 US disclosed
EP-1480957-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-01 EP disclosed
WO-2003074495-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 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-20050137212-A1 Hppars activators PPARG, PPARA, PPARD GSK3B 1870/4885HAO1 1844/4885HDAC1 79/4885

“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.