SCHEMBL3176764

SCHEMBL3176764

O=C(O)CCCSc1cccc(OCCn2cc(C(c3ccccc3)c3ccccc3)ccc2=O)c1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.69
PTGDR Q13258 1/20 0.48
ALDH1A1 P00352 1/20 0.43
CYSLTR2 Q9NS75 3/20 0.40
CYSLTR1 Q9Y271 3/20 0.40
TDP1 Q9NUW8 1/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL3168885 0.94 PTGDR2 (0.73) PTGDR2PTGDRALDH1A1CYSLTR2CYSLTR1
SCHEMBL3169535 0.93 PTGDR2 (0.72) PTGDR2PTGDRALDH1A1CYSLTR2CYSLTR1
SCHEMBL3173348 0.89 PTGDR2 (0.60) PTGDR2PTGDRCYSLTR2CYSLTR1
SCHEMBL12678564 0.89 PTGDR2 (0.82) PTGDR2PTGDRCYSLTR2CYSLTR1
SCHEMBL3176927 0.88 PTGDR2 (0.73) PTGDR2PTGDR
SCHEMBL3174351 0.83 PTGDR2 (0.58) PTGDR2PTGDRCYSLTR2CYSLTR1
SCHEMBL3180426 0.82 PTGDR2 (0.68) PTGDR2PTGDRALDH1A1CYSLTR2CYSLTR1
SCHEMBL3159452 0.81 PTGDR2 (0.72) PTGDR2PTGDRALDH1A1
SCHEMBL3180249 0.81 PTGDR2 (1.00) PTGDR2PTGDRCYSLTR2CYSLTR1
SCHEMBL3159691 0.79 PTGDR2 (0.90) PTGDR2PTGDR

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 189/4885ALDH1A1 3727/4885

“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.