SCHEMBL4879716

SCHEMBL4879716

COC(=O)C(=O)CC(=O)c1ccccc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 4/20 0.56
NPC1 O15118 2/20 0.53
GAA P10253 1/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HTT P42858 1/20 0.50
BRD4 O60885 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PTGER1 P34995 1/20 0.48

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
SCHEMBL30535266 0.88 SGMS2 (0.52) SGMS2NPC1GAAMEN1KMT2A
SCHEMBL69725 0.88 SGMS2 (0.52) SGMS2NPC1GAAMEN1KMT2A
SCHEMBL6947857 0.87 SGMS2 (0.60) SGMS2NPC1GAAMEN1KMT2A
SCHEMBL7531833 0.85 SGMS2 (0.58) SGMS2NPC1GAAMEN1KMT2A
SCHEMBL4883836 0.84 PTGER1 (0.55) KMT2APTGER1
SCHEMBL9643397 0.84 SGMS2 (0.60) SGMS2NPC1GAAMEN1KMT2A
SCHEMBL6243854 0.83 NPC1 (0.64) SGMS2NPC1GAAMEN1KMT2A
SCHEMBL6987792 0.83 SGMS2 (0.50) SGMS2NPC1GAAMEN1KMT2A
SCHEMBL29819654 0.82 NPC1 (0.66) NPC1KMT2ALMNAL3MBTL1HTT
SCHEMBL20239567 0.82 NPC1 (0.66) NPC1KMT2ALMNAL3MBTL1HTT

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 3 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
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 SGMS2 4349/4885NPC1 3283/4885GAA 4089/4885

“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.