SCHEMBL3159520

SCHEMBL3159520

O=C(O)Cn1ccc2c(NCCn3cc(C(c4ccccc4)c4ccccc4)ccc3=O)cccc21

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 11/20 0.46
▸ KMT2A Q03164 2/20 0.38
▸ GRM2 Q14416 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ STAT3 P40763 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NR3C2 P08235 1/20 0.34
▸ CCKBR P32239 1/20 0.34

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
SCHEMBL12678726 0.88 LMNA (0.41) PTGDR2KMT2AALDH1A1KDM4E
SCHEMBL3165167 0.85 PTGDR2 (0.44) PTGDR2KMT2AALDH1A1
SCHEMBL4413606 0.83 PTGDR2 (0.43) PTGDR2GRM2NR3C2
SCHEMBL3164798 0.81 PTGDR2 (0.52) PTGDR2KMT2AALDH1A1
SCHEMBL3166129 0.81 PTGDR2 (0.44) PTGDR2KMT2AALDH1A1STAT3
SCHEMBL3168468 0.80 PTGDR2 (0.57) PTGDR2
SCHEMBL3168073 0.80 PTGDR2 (0.52) PTGDR2
SCHEMBL3172284 0.77 PTGDR2 (0.42) PTGDR2KMT2AALDH1A1STAT3
SCHEMBL3172293 0.77 PTGDR2 (0.42) PTGDR2KMT2AALDH1A1STAT3
SCHEMBL27771722 0.75 PTGDR2 (0.55) PTGDR2KMT2AALDH1A1KDM4E

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 9 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
US-8273745-B2 Polycyclic acid compounds useful as CRTH2 antagonists and antiallergic agents ASTELLAS PHARMA INC (JP) 2012-09-25 — — US disclosed
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
US-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2010-01-14 — — US 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 116/4885KMT2A 2733/4885GRM2 349/4885

“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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