SCHEMBL14028869

SCHEMBL14028869

CCCCOc1ccc(Cl)cc1-c1cccnc1-c1cccc(C(=O)OCC)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 8/20 0.59
CYP2C9 P11712 3/20 0.43
EIF4EBP1 Q13541 4/20 0.43
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
JMJD6 Q6NYC1 2/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL4880247 0.87 PTGER1 (0.79) PTGER1CYP2C9CYP3A4
SCHEMBL14028965 0.84 PTGER1 (0.60) PTGER1CYP2C9EIF4EBP1NPC1HPGD
SCHEMBL14029163 0.84 PTGER1 (0.60) PTGER1CYP2C9EIF4EBP1NPC1HPGD
SCHEMBL30850464 0.78 EIF4EBP1 (0.48) PTGER1CYP2C9EIF4EBP1
SCHEMBL5096044 0.77 PTGER1 (0.62) PTGER1CYP2C9EIF4EBP1CYP3A4
SCHEMBL5096241 0.77 PTGER1 (0.54) PTGER1CYP2C9EIF4EBP1CYP3A4
SCHEMBL21158562 0.76 L3MBTL1 (0.54) CYP2C9NPC1CYP1A2HPGDCYP2C19
SCHEMBL5096086 0.76 PTGER1 (0.72) PTGER1CYP2C9EIF4EBP1CYP3A4
SCHEMBL5099258 0.75 PTGER1 (0.77) PTGER1CYP2C9CYP3A4
SCHEMBL14038705 0.75 NPC1 (0.45) PTGER1CYP2C9NPC1CYP1A2HPGD

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 PTGER1 1/4885CYP2C9 820/4885EIF4EBP1 512/4885

“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.