SCHEMBL12678564

SCHEMBL12678564

O=C(O)CCCOc1cccc(OCCn2cc(C(c3ccccc3)c3ccccc3)ccc2=O)c1

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.82
PTGDR Q13258 1/20 0.56
CYSLTR2 Q9NS75 4/20 0.43
CYSLTR1 Q9Y271 4/20 0.43
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
PKM P14618 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
SCHEMBL3176764 0.89 PTGDR2 (0.69) PTGDR2PTGDRCYSLTR2CYSLTR1
SCHEMBL3180249 0.89 PTGDR2 (1.00) PTGDR2PTGDRCYSLTR2CYSLTR1FFAR1
SCHEMBL3169535 0.88 PTGDR2 (0.72) PTGDR2PTGDRCYSLTR2CYSLTR1FFAR1
SCHEMBL3168885 0.87 PTGDR2 (0.73) PTGDR2PTGDRCYSLTR2CYSLTR1FFAR1
SCHEMBL3159691 0.87 PTGDR2 (0.90) PTGDR2PTGDR
SCHEMBL3164940 0.86 PTGDR2 (0.72) PTGDR2PTGDRCYSLTR2CYSLTR1FFAR1
SCHEMBL3175631 0.85 PTGDR2 (0.93) PTGDR2PTGDRFFAR1
SCHEMBL3169234 0.82 PTGDR2 (0.72) PTGDR2PTGDRCYSLTR2CYSLTR1FFAR1
SCHEMBL3175759 0.82 PTGDR2 (0.88) PTGDR2PTGDRFFAR1FFAR4
SCHEMBL3176191 0.80 PTGDR2 (0.81) 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 4 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-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.