SCHEMBL3178973

SCHEMBL3178973

O=C(O)CCc1cccc(CCCn2nc(C(c3ccccc3)c3ccccc3)ccc2=O)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.76
PTGDR Q13258 1/20 0.76
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
PDE4A P27815 3/20 0.41
PDE4B Q07343 3/20 0.41
PDE4C Q08493 3/20 0.41
PDE4D Q08499 3/20 0.41
PTGIR P43119 1/20 0.41
PTPRB P23467 1/20 0.40
CDC25A P30304 1/20 0.40
CDC25B P30305 1/20 0.40
PTEN P60484 1/20 0.40
PTPMT1 Q8WUK0 1/20 0.40
KEAP1 Q14145 1/20 0.39
HDAC3 O15379 1/20 0.38
MAPK1 P28482 1/20 0.38
ADRA1A P35348 1/20 0.38
HDAC4 P56524 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL3176547 0.87 PTGDR2 (1.00) PTGDR2PTGDRCYSLTR2CYSLTR1PTGIR
SCHEMBL3174515 0.87 PTGDR2 (0.65) PTGDR2PTGDRPDE4APDE4BPDE4C
SCHEMBL3164718 0.84 PTGDR2 (1.00) PTGDR2PTGDRPDE4APDE4BPDE4C
SCHEMBL3166257 0.82 PTGDR2 (0.75) PTGDR2PTGDRPDE4APDE4BPDE4C
SCHEMBL3168783 0.82 PTGDR2 (0.75) PTGDR2PTGDRPDE4APDE4BPDE4C
SCHEMBL3168673 0.81 PTGDR2 (0.94) PTGDR2PTGDRPDE4APDE4BPDE4C
SCHEMBL3172703 0.80 PTGDR2 (0.72) PTGDR2PTGDRPDE4APDE4BPDE4C
SCHEMBL3166216 0.80 PTGDR2 (0.86) PTGDR2PTGDRCYSLTR2CYSLTR1PTGIR
SCHEMBL27866946 0.79 PTGDR2 (0.71) PTGDR2PTGDRPDE4APDE4BPDE4C
SCHEMBL3174318 0.79 PTGDR2 (0.71) PTGDR2PTGDRPDE4APDE4BPDE4C

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 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
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 189/4885CYSLTR2 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.