SCHEMBL3176967

SCHEMBL3176967

O=C(O)n1ccc2c(CCCn3cc(C(c4ccccc4)c4ccccc4)ccc3=O)cccc21

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 10/20 0.51
▸ TP53 P04637 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ OXER1 Q8TDS5 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ CDC25A P30304 1/20 0.32
▸ ADRA1D P25100 1/20 0.32
▸ ITGB3 P05106 1/20 0.32
▸ ITGAV P06756 1/20 0.32
▸ ITGB5 P18084 1/20 0.32

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
SCHEMBL3169190 0.89 PTGDR2 (0.51) PTGDR2TP53MCL1MAPTOXER1
SCHEMBL3169747 0.87 PTGDR2 (0.43) PTGDR2TP53MAPTHTR6
SCHEMBL3164798 0.87 PTGDR2 (0.52) PTGDR2MCL1PPARGPPARDPPARA
SCHEMBL4419630 0.84 PTGDR2 (0.51) PTGDR2TP53MCL1PPARGPPARD
SCHEMBL12678736 0.81 PTGDR2 (0.49) PTGDR2PPARGPPARDPPARAMAPT
SCHEMBL3179431 0.79 PTGDR2 (0.52) PTGDR2MCL1CDC25AADRA1D
SCHEMBL3175225 0.77 PTGDR2 (0.49) PTGDR2MAPT
SCHEMBL4418272 0.76 PTGDR2 (0.51) PTGDR2TP53MCL1MAPTCDC25A
SCHEMBL3169645 0.75 PTGDR2 (0.55) PTGDR2MCL1MAPTCDC25A
SCHEMBL12678721 0.74 PTGDR2 (0.49) PTGDR2MCL1MAPT

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
EP-2094662-B1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC (JP) 2012-04-11 — — EP disclosed
US-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2010-01-14 — — US disclosed
EP-2094662-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS Astellas Pharma Inc. (JP) 2009-09-02 — — EP disclosed
WO-2008072784-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2008-06-19 — — 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-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS HRH2, HRH1, HRH4 PTGDR2 116/4885TP53 4798/4885MCL1 3406/4885

“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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