SCHEMBL3169190

SCHEMBL3169190

O=C(O)n1cc(CCCn2cc(C(c3ccccc3)c3ccccc3)ccc2=O)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 9/20 0.51
▸ OXER1 Q8TDS5 1/20 0.40
▸ ADRA1D P25100 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ MCL1 Q07820 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CDC25A P30304 1/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL3176967 0.89 PTGDR2 (0.51) PTGDR2OXER1ADRA1DMCL1TP53
SCHEMBL3179431 0.86 PTGDR2 (0.52) PTGDR2ADRA1DADRA1AMCL1CDC25A
SCHEMBL4418272 0.83 PTGDR2 (0.51) PTGDR2ADRA1DKDM4EHPGDHSD17B10
SCHEMBL3169645 0.82 PTGDR2 (0.55) PTGDR2KDM4EHPGDHSD17B10MCL1
SCHEMBL12678721 0.80 PTGDR2 (0.49) PTGDR2MCL1POLBMAPT
SCHEMBL17943478 0.79 PTGDR2 (0.46) PTGDR2ADRA1DHPGDADRA1AMCL1
SCHEMBL3164798 0.79 PTGDR2 (0.52) PTGDR2MCL1CDC25A
SCHEMBL3169747 0.77 PTGDR2 (0.43) PTGDR2TP53MAPT
SCHEMBL4419630 0.76 PTGDR2 (0.51) PTGDR2ADRA1DADRA1AMCL1TP53
SCHEMBL3164947 0.76 HTR1A (0.53) PTGDR2HPGDMAPT

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 116/4885OXER1 310/4885ADRA1D 1899/4885

“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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