SCHEMBL4575441

SCHEMBL4575441

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

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.55
RAB9A P51151 3/20 0.55
NPC1 O15118 1/20 0.55
KDM4E B2RXH2 4/20 0.53
LMNA P02545 2/20 0.53
POLB P06746 1/20 0.51
CHRNB2 P17787 1/20 0.49
CHRNA7 P36544 1/20 0.49
CHRNA4 P43681 1/20 0.49
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.48
PTPRF P10586 1/20 0.45
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
KMT2A Q03164 4/20 0.44
GAA P10253 2/20 0.44
MEN1 O00255 1/20 0.41

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
SCHEMBL17014413 0.92 HPGD (0.51) HPGDRAB9ANPC1KDM4ELMNA
SCHEMBL22207556 0.83 KMT2A (0.56) HPGDRAB9ANPC1KDM4ELMNA
SCHEMBL2554073 0.76 POLB (0.56) RAB9ANPC1KDM4EPOLBMAPT
SCHEMBL12733059 0.75 HPGD (0.62) HPGDRAB9ANPC1KDM4ELMNA
SCHEMBL4575322 0.74 GSK3B (0.52) POLBMAPTKMT2A
SCHEMBL4575816 0.73 NPC1 (0.58) HPGDRAB9ANPC1KDM4ELMNA
SCHEMBL23581413 0.73 KMT2A (0.50) HPGDRAB9ANPC1KDM4ELMNA
SCHEMBL16381840 0.72 CHRNB2 (0.58) HPGDRAB9ANPC1KDM4ELMNA
SCHEMBL246937 0.71 CES2 (0.59) HPGDRAB9ANPC1KDM4ELMNA
SCHEMBL28953078 0.71 RAB9A (0.54) HPGDRAB9APOLBCHRNB2CHRNA7

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 HPGD 59/4885RAB9A 1733/4885NPC1 400/4885

“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.