SCHEMBL3176191

SCHEMBL3176191

O=C(O)CCCOc1cccc(OCCn2nc(C(c3ccccc3)c3ccccc3)ccc2=O)c1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.81
PTGDR Q13258 1/20 0.81
CYSLTR2 Q9NS75 3/20 0.45
CYSLTR1 Q9Y271 3/20 0.45
PTGIR P43119 1/20 0.44
HPGD P15428 1/20 0.42
MAPT P10636 1/20 0.42
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
DHFR P00374 3/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL3180426 0.90 PTGDR2 (0.68) PTGDR2PTGDRCYSLTR2CYSLTR1PTGIR
SCHEMBL3176547 0.90 PTGDR2 (1.00) PTGDR2PTGDRCYSLTR2CYSLTR1PTGIR
SCHEMBL3159621 0.89 PTGDR2 (0.72) PTGDR2PTGDRCYSLTR2CYSLTR1PTGIR
SCHEMBL3169657 0.88 PTGDR2 (0.80) PTGDR2PTGDRPTGIRHPGDMAPT
SCHEMBL3165589 0.88 PTGDR2 (0.65) PTGDR2PTGDRCYSLTR2CYSLTR1HPGD
SCHEMBL16493797 0.84 PTGDR2 (0.66) PTGDR2PTGDRPTGIRHPGDMAPT
SCHEMBL3174685 0.83 PTGDR2 (0.73) PTGDR2PTGDRPTGIRFFAR1FFAR4
SCHEMBL3166216 0.83 PTGDR2 (0.86) PTGDR2PTGDRCYSLTR2CYSLTR1PTGIR
SCHEMBL16493796 0.83 PTGDR2 (0.64) PTGDR2PTGDRPTGIRHPGDMAPT
SCHEMBL12678564 0.80 PTGDR2 (0.82) PTGDR2PTGDRCYSLTR2CYSLTR1FFAR1

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 6 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 claimed
EP-2094662-B1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC (JP) 2012-04-11 EP claimed
US-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2010-01-14 US claimed
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 116/4885PTGDR 189/4885CYSLTR2 13/4885

“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.