SCHEMBL3159504

SCHEMBL3159504

O=C(O)COc1cccc(CC2CCCCC2Cn2nc(C(c3ccccc3)c3ccccc3)ccc2=O)c1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.65
PTGDR Q13258 1/20 0.54
PTGIR P43119 6/20 0.53
FKBP1A P62942 1/20 0.37
FFAR1 O14842 3/20 0.36

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
SCHEMBL4423344 0.83 PTGIR (0.43) PTGDR2PTGDRPTGIR
SCHEMBL3164718 0.79 PTGDR2 (1.00) PTGDR2PTGDRPTGIR
SCHEMBL3168673 0.78 PTGDR2 (0.94) PTGDR2PTGDRPTGIR
SCHEMBL3159446 0.77 PTGDR2 (0.69) PTGDR2PTGDRPTGIRFFAR1
SCHEMBL4267450 0.76 PTGDR2 (0.43) PTGDR2PTGIRFFAR1
SCHEMBL3169657 0.75 PTGDR2 (0.80) PTGDR2PTGDRPTGIR
SCHEMBL3176242 0.74 PPARA (0.48) PTGDR2PTGIRFFAR1
SCHEMBL3159228 0.71 PTGDR2 (0.72) PTGDR2PTGDRPTGIR
SCHEMBL12198738 0.70 PTGIR (0.60) PTGDR2PTGDRPTGIR
SCHEMBL2510624 0.70 PTGIR (0.60) PTGDR2PTGDRPTGIR

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 189/4885PTGIR 216/4885

“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.