SCHEMBL4884749

SCHEMBL4884749

OB(O)c1cccc(C(F)(F)F)c1OCc1ccc(F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.42
IDO1 P14902 4/20 0.40
AGXT P21549 2/20 0.40
MAPK14 Q16539 7/20 0.38
GSK3B P49841 1/20 0.37
BACE1 P56817 1/20 0.37
PPARA Q07869 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
PTGER1 P34995 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.36

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
SCHEMBL5621169 0.82 MAOB (0.44) MAOBIDO1AGXTMAPK14
SCHEMBL2556251 0.77 LIPE (0.55) MAOBIDO1AGXTMAPK14PTGER1
SCHEMBL5109133 0.73 IDO1 (0.46) MAOBIDO1AGXTMAPK14PTGER1
SCHEMBL5109200 0.72 PTGER1 (0.44) IDO1PTGER1MRGPRX4
SCHEMBL1409369 0.70 ENPP2 (0.42) MAOBMEN1KMT2A
SCHEMBL29955963 0.70 ENPP2 (0.42) MAOBMEN1KMT2A
SCHEMBL2557415 0.69 MAOB (0.50) MAOBIDO1AGXTMAPK14GSK3B
SCHEMBL2555813 0.68 ALDH1A1 (0.48) MEN1KMT2A
SCHEMBL5109243 0.68 CCR5 (0.58) MAOBMAPK14PTGER1
SCHEMBL5620813 0.68 PTGER1 (0.52) MAOBMAPK14MEN1KMT2APTGER1

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 1 patent. 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

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 MAOB 571/4885IDO1 1081/4885AGXT 3092/4885

“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.