SCHEMBL3166424

SCHEMBL3166424

O=C(O)n1ccc2c(-c3nc(Cn4cc(C(c5ccccc5)c5ccccc5)ccc4=O)co3)cccc21

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 5/20 0.36
▸ DRD2 P14416 2/20 0.30
▸ DRD4 P21917 2/20 0.30
▸ DRD3 P35462 2/20 0.30

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
SCHEMBL3165132 0.89 PTGDR2 (0.37) PTGDR2
SCHEMBL4419771 0.86 PTGDR2 (0.36) PTGDR2DRD2DRD4DRD3
SCHEMBL12678732 0.84 POLB (0.37) PTGDR2
SCHEMBL3159313 0.80 PTGDR2 (0.34) PTGDR2DRD2DRD4DRD3
SCHEMBL3169747 0.79 PTGDR2 (0.43) PTGDR2
SCHEMBL27771716 0.76 PTGDR2 (0.34) PTGDR2DRD2DRD4DRD3
SCHEMBL3165002 0.75 PDCD1 (0.37) DRD2DRD4DRD3
SCHEMBL3176967 0.72 PTGDR2 (0.51) PTGDR2
SCHEMBL3173411 0.71 ALDH1A1 (0.37) PTGDR2
SCHEMBL3166129 0.66 PTGDR2 (0.44) PTGDR2

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-8273745-B2 Polycyclic acid compounds useful as CRTH2 antagonists and antiallergic agents ASTELLAS PHARMA INC (JP) 2012-09-25 — — US disclosed
CN-102442941-A Polycyclic acid compounds useful as crth2 antagonists and antiallergic agents ASTELLAS PHARMA INC 2012-05-09 — — CN disclosed
EP-2094662-B1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC (JP) 2012-04-11 — — EP disclosed
CN-101636386-A Polycyclic acid compounds useful as CRTH2 antagonists and antiallergic agents ASTELLAS PHARMA INC 2010-01-27 — — CN disclosed
US-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2010-01-14 — — 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-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS HRH2, HRH1, HRH4 PTGDR2 116/4885DRD2 621/4885DRD4 1586/4885

“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.

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