SCHEMBL3159313

SCHEMBL3159313

O=c1ccc(C(c2ccccc2)c2ccccc2)cn1Cc1coc(-c2cccc3[nH]ccc23)n1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 5/20 0.34
▸ MAPK14 Q16539 2/20 0.34
▸ PIK3CA P42336 2/20 0.33
▸ PIK3R1 P27986 1/20 0.33
▸ ATR Q13535 3/20 0.33
▸ MTOR P42345 1/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ HPGDS O60760 1/20 0.33
▸ DRD2 P14416 3/20 0.32
▸ DRD4 P21917 3/20 0.32
▸ DRD3 P35462 3/20 0.32
▸ PIK3CD O00329 2/20 0.31
▸ MGAM O43451 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ SI P14410 1/20 0.31
▸ MGAM2 Q2M2H8 1/20 0.31
▸ FTO Q9C0B1 1/20 0.31

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
SCHEMBL3166424 0.80 PTGDR2 (0.36) PTGDR2DRD2DRD4DRD3
SCHEMBL3165132 0.79 PTGDR2 (0.37) PTGDR2
SCHEMBL27771716 0.79 PTGDR2 (0.34) PTGDR2DRD2DRD4DRD3
SCHEMBL4419771 0.77 PTGDR2 (0.36) PTGDR2DRD2DRD4DRD3
SCHEMBL3175912 0.77 DAO (0.45) PTGDR2MAPK14DRD2DRD4DRD3
SCHEMBL12678732 0.75 POLB (0.37) PTGDR2
SCHEMBL3175225 0.70 PTGDR2 (0.49) PTGDR2MAPK14DRD2DRD4DRD3
SCHEMBL3165308 0.69 PTGDR2 (0.38) PTGDR2MAPK14HPGDSDRD2DRD4
SCHEMBL3165302 0.69 PTGDR2 (0.38) PTGDR2MAPK14HPGDSDRD2DRD4
SCHEMBL3166132 0.68 ALDH1A1 (0.38) PTGDR2MAPK14PIK3CAPIK3R1HPGDS

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 116/4885MAPK14 1121/4885PIK3CA 3183/4885

“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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