SCHEMBL4884769

SCHEMBL4884769

O=C1OCC(c2cc(Cl)ccc2OCc2ccccc2)=C1Br

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 13/20 0.63
CYP2C9 P11712 2/20 0.50
MAOA P21397 4/20 0.44
MAOB P27338 4/20 0.44
SLC6A4 P31645 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
SCHEMBL4878175 0.78 PTGER1 (1.00) PTGER1CYP2C9
SCHEMBL4918549 0.77 PTGER1 (0.58) PTGER1CYP2C9SLC6A4
SCHEMBL5619777 0.77 PTGER1 (0.61) PTGER1CYP2C9SLC6A4
SCHEMBL4882977 0.75 PTGER1 (0.87) PTGER1CYP2C9
SCHEMBL5096000 0.74 PTGER1 (0.64) PTGER1CYP2C9SLC6A4
SCHEMBL8770492 0.74 PTGER1 (0.58) PTGER1CYP2C9MAOAMAOB
SCHEMBL8770413 0.73 PTGER1 (0.52) PTGER1MAOAMAOBSLC6A4
SCHEMBL2101145 0.72 RAB9A (0.56) PTGER1SLC6A4
SCHEMBL8770509 0.71 PTGER1 (0.58) PTGER1CYP2C9MAOAMAOB
SCHEMBL8770494 0.71 PTGER1 (0.60) PTGER1CYP2C9MAOAMAOB

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
US-20080275053-A1 Selective modulators of prostaglandin E2 at EP1 receptors; analgesics, antiinflammatory agents; neurodegenerative diseases, bone or renal disorders; 3-{1-[2-(benzyloxy)-phenyl]-5-methyl-1H-pyrrol-2-yl}-benzoic acid GLAXOSMITHKLINE 2008-11-06 US disclosed
US-20080275053-A1 Selective modulators of prostaglandin E2 at EP1 receptors; analgesics, antiinflammatory agents; neurodegenerative diseases, bone or renal disorders; 3-{1-[2-(benzyloxy)-phenyl]-5-methyl-1H-pyrrol-2-yl}-benzoic acid GLAXOSMITHKLINE 2008-11-06 US disclosed
US-20080275053-A1 Selective modulators of prostaglandin E2 at EP1 receptors; analgesics, antiinflammatory agents; neurodegenerative diseases, bone or renal disorders; 3-{1-[2-(benzyloxy)-phenyl]-5-methyl-1H-pyrrol-2-yl}-benzoic acid GLAXOSMITHKLINE 2008-11-06 US disclosed
EP-1670756-A1 HETEROCYCLYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-06-21 EP disclosed
WO-2005037786-A1 HETEROCYCLYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-04-28 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-20080275053-A1 Selective modulators of prostaglandin E2 at EP1 receptors; analgesics, antiinflammatory agents; neurodegenerative diseases, bone or renal disorders; 3-{1-[2-(benzyloxy)-phenyl]-5-methyl-1H-pyrrol-2-yl}-benzoic acid PTGER1, PTGER2, PTGDR PTGER1 1/4885CYP2C9 820/4885MAOA 1256/4885

“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.