SCHEMBL3159782

SCHEMBL3159782

CCOC(=O)CCCOc1ccc(F)c(CCCn2nc(C(c3ccc(F)cc3)c3ccc(F)cc3)ccc2=O)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.51
PTGDR Q13258 1/20 0.51
BRD4 O60885 1/20 0.38
CNR1 P21554 1/20 0.38
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
P2RY12 Q9H244 1/20 0.37
POLB P06746 2/20 0.37
PDK2 Q15119 1/20 0.35
FAAH O00519 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CNR2 P34972 1/20 0.34
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
FFAR1 O14842 1/20 0.34
PFKFB3 Q16875 1/20 0.34

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
SCHEMBL3159589 0.93 PTGDR2 (0.59) PTGDR2PTGDRBRD4CNR1PDE3B
SCHEMBL3180242 0.89 PTGDR2 (0.64) PTGDR2PTGDRPDE3BPDE3AP2RY12
SCHEMBL3173152 0.87 PTGDR2 (0.69) PTGDR2PTGDRFAAHMEN1KMT2A
SCHEMBL3168732 0.85 PTGDR2 (0.52) PTGDR2BRD4CNR1PDE3BPDE3A
SCHEMBL3174685 0.83 PTGDR2 (0.73) PTGDR2PTGDRPDE3BPDE3AP2RY12
SCHEMBL3175460 0.79 PTGDR2 (0.59) PTGDR2PTGDRBRD4CNR1PDK2
SCHEMBL3166101 0.79 PTGDR2 (0.80) PTGDR2PTGDRFAAHKMT2ACYSLTR2
SCHEMBL3165589 0.78 PTGDR2 (0.65) PTGDR2PTGDRBRD4PDE3BPDE3A
SCHEMBL3165910 0.77 PTGDR2 (0.72) PTGDR2PTGDRFFAR1
SCHEMBL3165634 0.76 PTGDR2 (0.54) PTGDR2PTGDRPOLB

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 189/4885BRD4 699/4885

“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.