SCHEMBL3177150

SCHEMBL3177150

COC(=O)[C@H](C)Oc1cccc(CCCCn2nc(C(c3ccccc3)c3ccccc3)ccc2=O)c1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.67
PTGDR Q13258 1/20 0.65
PDE4A P27815 3/20 0.42
PDE4B Q07343 3/20 0.42
PDE4C Q08493 3/20 0.42
PDE4D Q08499 3/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
TLR7 Q9NYK1 1/20 0.37

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
SCHEMBL3174318 0.93 PTGDR2 (0.71) PTGDR2PTGDRPDE4APDE4BPDE4C
SCHEMBL3166257 0.90 PTGDR2 (0.75) PTGDR2PTGDRPDE4APDE4BPDE4C
SCHEMBL3168783 0.90 PTGDR2 (0.75) PTGDR2PTGDRPDE4APDE4BPDE4C
SCHEMBL27866946 0.85 PTGDR2 (0.71) PTGDR2PTGDRPDE4APDE4BPDE4C
SCHEMBL3177154 0.84 PTGDR2 (0.68) PTGDR2PTGDRPDE4APDE4BPDE4C
SCHEMBL27866947 0.83 PTGDR2 (0.69) PTGDR2PTGDRPDE4APDE4BPDE4C
SCHEMBL3168673 0.83 PTGDR2 (0.94) PTGDR2PTGDRPDE4APDE4BPDE4C
SCHEMBL3177159 0.83 PTGDR2 (0.68) PTGDR2PTGDRPDE4APDE4BPDE4C
SCHEMBL3172703 0.81 PTGDR2 (0.72) PTGDR2PTGDRPDE4APDE4BPDE4C
SCHEMBL3164718 0.80 PTGDR2 (1.00) 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 3 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
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 189/4885PDE4A 1984/4885

“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.