SCHEMBL3176899

SCHEMBL3176899

CCC(Oc1cccc(CCCN(CCC(c2ccccc2)c2ccccc2)C(=O)c2cccnc2)c1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 3/20 0.59
▸ PPARD Q03181 5/20 0.43
▸ PPARA Q07869 5/20 0.43
▸ PPARG P37231 4/20 0.43
▸ HTT P42858 1/20 0.40
▸ KCNA5 P22460 1/20 0.40
▸ CASR P41180 1/20 0.40
▸ EPHX2 P34913 2/20 0.40
▸ GPR132 Q9UNW8 4/20 0.40
▸ ABCB1 P08183 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ LPAR1 Q92633 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
SCHEMBL3174210 0.90 PTGDR2 (0.62) PTGDR2PPARDPPARAPPARGCASR
SCHEMBL4275413 0.87 PTGDR2 (0.60) PTGDR2HTTKCNA5CASREPHX2
SCHEMBL4275411 0.87 PTGDR2 (0.62) PTGDR2HTTKCNA5CASREPHX2
SCHEMBL3166366 0.85 PTGDR2 (0.82) PTGDR2PPARAPPARGKCNA5EPHX2
SCHEMBL3174713 0.84 PTGDR2 (0.56) PTGDR2PPARDPPARAPPARG
SCHEMBL12678756 0.84 PTGDR2 (0.66) PTGDR2PPARAPPARGKCNA5GPR132
SCHEMBL3165622 0.82 PTGDR2 (0.54) PTGDR2PPARDPPARAPPARG
SCHEMBL3168518 0.80 PTGDR2 (0.47) PTGDR2PPARDPPARAPPARG
SCHEMBL3166279 0.79 PTGDR2 (0.52) PTGDR2PPARDPPARAPPARG
SCHEMBL3166266 0.79 PTGDR2 (0.52) PTGDR2PPARDPPARAPPARG

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 116/4885PPARD 1089/4885PPARA 1122/4885

“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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