SCHEMBL3168564

SCHEMBL3168564

C[C@H](Oc1cccc(CCCCn2cc(C(c3ccccc3)c3ccccc3)ccc2=O)c1)C(=O)O

nearest known ligand 0.94

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.94
PTGDR Q13258 1/20 0.47
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
ADRB3 P13945 5/20 0.37

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
SCHEMBL3165304 0.97 PTGDR2 (1.00) PTGDR2PTGDRALDH1A1MAPTPPARG
SCHEMBL3168945 0.97 PTGDR2 (1.00) PTGDR2PTGDRALDH1A1MAPTPPARG
SCHEMBL3174445 0.97 PTGDR2 (1.00) PTGDR2PTGDRALDH1A1MAPTPPARG
SCHEMBL3165228 0.90 PTGDR2 (0.87) PTGDR2PTGDRPPARG
SCHEMBL3172652 0.90 PTGDR2 (0.87) PTGDR2PTGDRALDH1A1
SCHEMBL3174289 0.89 PTGDR2 (0.94) PTGDR2PTGDRPPARGPPARDPPARA
SCHEMBL3168927 0.89 PTGDR2 (0.84) PTGDR2PTGDRALDH1A1MAPT
SCHEMBL3168476 0.88 PTGDR2 (0.82) PTGDR2PTGDRALDH1A1MAPTPPARG
SCHEMBL27866948 0.87 PTGDR2 (0.72) PTGDR2PTGDRPPARGPPARA
SCHEMBL3168930 0.85 PTGDR2 (1.00) PTGDR2PTGDRPPARGPPARDPPARA

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 116/4885PTGDR 189/4885ALDH1A1 3727/4885

“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.