SCHEMBL3166279

SCHEMBL3166279

CC=CC(=O)N(CCCc1cccc(OC(CC)C(=O)O)c1)CCC(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 3/20 0.52
▸ PPARA Q07869 16/20 0.44
▸ PPARD Q03181 15/20 0.44
▸ PPARG P37231 13/20 0.44
▸ PTGES O14684 1/20 0.39
▸ ALOX5 P09917 1/20 0.39

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
SCHEMBL3166266 1.00 PTGDR2 (0.52) PTGDR2PPARAPPARDPPARGPTGES
SCHEMBL3168518 0.87 PTGDR2 (0.47) PTGDR2PPARAPPARDPPARG
SCHEMBL4281919 0.86 PTGDR2 (0.52) PTGDR2PPARAPPARG
SCHEMBL4281806 0.85 PTGDR2 (0.54) PTGDR2
SCHEMBL3165622 0.85 PTGDR2 (0.54) PTGDR2PPARAPPARDPPARGPTGES
SCHEMBL3174421 0.85 PTGDR2 (0.72) PTGDR2PPARAPPARG
SCHEMBL3174429 0.85 PTGDR2 (0.72) PTGDR2PPARAPPARG
SCHEMBL12678754 0.83 PTGDR2 (0.58) PTGDR2PPARAPPARG
SCHEMBL3168965 0.82 PTGDR2 (0.51) PTGDR2PPARAPPARDPPARGPTGES
SCHEMBL3174210 0.81 PTGDR2 (0.62) PTGDR2PPARAPPARDPPARG

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 3 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

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 1122/4885PPARD 1089/4885

“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.

Send feedback