SCHEMBL3159589

SCHEMBL3159589

CCOC(=O)CCCOc1ccc(F)c(CCCn2nc(C(c3ccccc3)c3ccccc3)ccc2=O)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.59
PTGDR Q13258 1/20 0.59
FAAH O00519 2/20 0.39
PDK2 Q15119 2/20 0.39
BRD4 O60885 1/20 0.38
CYSLTR2 Q9NS75 3/20 0.37
CYSLTR1 Q9Y271 3/20 0.37
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
P2RY12 Q9H244 1/20 0.37
PLA2G2A P14555 2/20 0.37
PFKFB3 Q16875 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
CNR1 P21554 1/20 0.36
MMP13 P45452 1/20 0.36

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
SCHEMBL3159782 0.93 PTGDR2 (0.51) PTGDR2PTGDRFAAHPDK2BRD4
SCHEMBL3174685 0.90 PTGDR2 (0.73) PTGDR2PTGDRPDK2PDE3BPDE3A
SCHEMBL3166101 0.86 PTGDR2 (0.80) PTGDR2PTGDRFAAHCYSLTR2CYSLTR1
SCHEMBL3165589 0.85 PTGDR2 (0.65) PTGDR2PTGDRFAAHPDK2BRD4
SCHEMBL3165910 0.84 PTGDR2 (0.72) PTGDR2PTGDRALDH1A1HTT
SCHEMBL3175460 0.84 PTGDR2 (0.59) PTGDR2PTGDRFAAHPDK2BRD4
SCHEMBL3180242 0.84 PTGDR2 (0.64) PTGDR2PTGDRPDE3BPDE3AP2RY12
SCHEMBL3165634 0.83 PTGDR2 (0.54) PTGDR2PTGDR
SCHEMBL3173152 0.82 PTGDR2 (0.69) PTGDR2PTGDRFAAHCYSLTR2CYSLTR1
SCHEMBL3176587 0.80 PTGDR2 (0.59) PTGDR2PTGDRFAAHPDK2BRD4

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 189/4885FAAH 205/4885

“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.