SCHEMBL3175657

SCHEMBL3175657

COc1ccc(-c2ccccc2-c2ccc(=O)n(CCCc3cccc(OCC(=O)O)c3)c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 11/20 0.73
▸ PPARA Q07869 2/20 0.48
▸ PPARG P37231 1/20 0.48
▸ LMNA P02545 1/20 0.45
▸ FFAR1 O14842 1/20 0.44
▸ SIGMAR1 Q99720 2/20 0.43
▸ FABP4 P15090 1/20 0.43
▸ FABP5 Q01469 1/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ MLNR O43193 1/20 0.42

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
SCHEMBL3169556 0.93 PTGDR2 (0.69) PTGDR2PPARAPPARGFABP4FABP5
SCHEMBL3166645 0.92 PTGDR2 (0.72) PTGDR2PPARAPPARGFABP4FABP5
SCHEMBL3169291 0.91 PTGDR2 (0.63) PTGDR2PPARAPPARGLMNAFFAR1
SCHEMBL3172578 0.90 PTGDR2 (0.72) PTGDR2PPARAPPARGFABP4FABP5
SCHEMBL3165566 0.90 PTGDR2 (0.72) PTGDR2PPARAPPARGFABP4FABP5
SCHEMBL3169418 0.89 PTGDR2 (0.61) PTGDR2PPARAPPARGFABP4FABP5
SCHEMBL3172580 0.89 PTGDR2 (0.66) PTGDR2PPARAPPARGFABP4FABP5
SCHEMBL3165034 0.89 PTGDR2 (0.64) PTGDR2PPARAPPARGFFAR1FABP4
SCHEMBL3169197 0.88 PTGDR2 (0.62) PTGDR2PPARAPPARGFFAR1FABP4
SCHEMBL3169518 0.88 PTGDR2 (0.65) PTGDR2PPARAPPARGLMNAFFAR1

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 7 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

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 116/4885PPARA 1122/4885PPARG 1069/4885

“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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