SCHEMBL5280181

SCHEMBL5280181

CC(=O)Oc1cccc(CCCCBr)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.50
LMNA P02545 1/20 0.50
MTNR1A P48039 2/20 0.49
MTNR1B P49286 2/20 0.49
PPARG P37231 3/20 0.48
PPARA Q07869 3/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ACHE P22303 4/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
PARP1 P09874 1/20 0.44

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
SCHEMBL7613234 0.89 CYP3A4 (0.54) CYP3A4LMNAMTNR1AMTNR1BACHE
SCHEMBL30631323 0.86 PPARA (0.63) CYP3A4LMNAMTNR1AMTNR1BPPARG
SCHEMBL27865972 0.86 PPARA (0.63) CYP3A4LMNAMTNR1AMTNR1BPPARG
SCHEMBL4268393 0.86 CYP4F2 (0.56) CYP3A4LMNAMTNR1AMTNR1BPPARG
SCHEMBL30375077 0.85 PPARA (0.62) CYP3A4LMNAPPARGPPARA
SCHEMBL1517301 0.85 PPARA (0.66) PPARGPPARAHDAC1HDAC6
SCHEMBL4279635 0.85 CYP3A4 (0.50) CYP3A4LMNAMTNR1AMTNR1BPPARG
SCHEMBL7608883 0.85 CYP4F2 (0.55) CYP3A4LMNAMTNR1AMTNR1BPPARG
SCHEMBL27853288 0.85 PPARA (0.62) CYP3A4LMNAPPARGPPARA
SCHEMBL14445676 0.85 PPARA (0.66) PPARGPPARAHDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497261-B1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LTD (GB) 2007-12-19 EP disclosed
US-7271197-B2 Phenethanolamine derivatives GLAXO GROUP LIMITED (GB) 2007-09-18 US disclosed
US-20050256201-A1 Phenethanolamine derivatives GLAXO GROUP LIMITED 2005-11-17 US disclosed
EP-1497261-A1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-01-19 EP disclosed
WO-2003091204-A1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-11-06 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-20050256201-A1 Phenethanolamine derivatives PNMT, PHOSPHO1, NAPEPLD CYP3A4 543/4885LMNA 462/4885MTNR1A 210/4885

“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.