SCHEMBL3169657

SCHEMBL3169657

O=C(O)COc1cccc(OCCCn2nc(C(c3ccccc3)c3ccccc3)ccc2=O)c1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.80
PTGDR Q13258 1/20 0.71
PTGIR P43119 1/20 0.50
MCL1 Q07820 2/20 0.42
PLA2G4B P0C869 1/20 0.42
LMNA P02545 1/20 0.42
DHFR P00374 2/20 0.40
ALOX15 P16050 1/20 0.40
HPGD P15428 1/20 0.39
MAPT P10636 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
SCHEMBL3164718 0.89 PTGDR2 (1.00) PTGDR2PTGDRPTGIR
SCHEMBL3176191 0.88 PTGDR2 (0.81) PTGDR2PTGDRPTGIRDHFRHPGD
SCHEMBL3159228 0.88 PTGDR2 (0.72) PTGDR2PTGDRPTGIRMCL1LMNA
SCHEMBL3168673 0.88 PTGDR2 (0.94) PTGDR2PTGDRPTGIR
SCHEMBL16493797 0.88 PTGDR2 (0.66) PTGDR2PTGDRPTGIRLMNAHPGD
SCHEMBL16493796 0.86 PTGDR2 (0.64) PTGDR2PTGDRPTGIRHPGDMAPT
SCHEMBL3166765 0.85 PTGDR2 (0.73) PTGDR2PTGDRPTGIRLMNAALOX15
SCHEMBL3176547 0.83 PTGDR2 (1.00) PTGDR2PTGDRPTGIR
SCHEMBL3165910 0.82 PTGDR2 (0.72) PTGDR2PTGDRPTGIR
SCHEMBL3180426 0.81 PTGDR2 (0.68) PTGDR2PTGDRPTGIRHPGDMAPT

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.