SCHEMBL4886525

SCHEMBL4886525

CCOC(=O)c1cccc(-c2ccncc2-c2ccccc2OCc2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 14/20 0.63
CYP2C9 P11712 2/20 0.63
CYP3A4 P08684 1/20 0.63
PPIA P62937 2/20 0.52
NPC1 O15118 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
DGAT2 Q96PD7 1/20 0.47
PTGER4 P35408 3/20 0.46
PTGER3 P43115 3/20 0.46
PTGER2 P43116 3/20 0.46

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
SCHEMBL4882669 0.90 PTGER1 (0.80) PTGER1CYP2C9CYP3A4
SCHEMBL5110014 0.90 PTGER1 (0.74) PTGER1CYP2C9PPIANPC1ALDH1A1
SCHEMBL4886674 0.88 PTGER1 (0.79) PTGER1CYP2C9CYP3A4PTGER4PTGER3
SCHEMBL14028923 0.87 PTGER1 (0.47) PTGER1CYP2C9CYP3A4NPC1RAB9A
SCHEMBL4884294 0.86 PTGER1 (0.80) PTGER1CYP2C9CYP3A4
SCHEMBL4884412 0.85 PTGER1 (0.56) PTGER1CYP2C9CYP3A4PPIAALDH1A1
SCHEMBL5102961 0.83 PTGER1 (0.57) PTGER1CYP2C9CYP3A4PPIA
SCHEMBL5099258 0.80 PTGER1 (0.77) PTGER1CYP2C9CYP3A4
SCHEMBL6684764 0.78 PTGER1 (0.52) PTGER1CYP2C9PPIANPC1ALDH1A1
SCHEMBL5096018 0.78 PTGER1 (0.54) PTGER1CYP2C9CYP3A4PPIANPC1

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 2 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

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 820/4885CYP3A4 1749/4885

“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.