SCHEMBL1644683

SCHEMBL1644683

COc1ccc(CC(=O)O)cc1Oc1ccc(-c2cnn(C)c2)cc1CN1CCOC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.49
IRAK1 P51617 2/20 0.38
IRAK4 Q9NWZ3 2/20 0.38
TNIK Q9UKE5 1/20 0.37
FGFR1 P11362 2/20 0.37
FGFR2 P21802 2/20 0.37
FGFR4 P22455 2/20 0.37
FGFR3 P22607 2/20 0.37
KDR P35968 2/20 0.37
HTT P42858 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK8 P45983 1/20 0.36
HCRTR2 O43614 1/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
USP30 Q70CQ3 1/20 0.35
GAA P10253 3/20 0.35
NTRK1 P04629 1/20 0.35
CSF1R P07333 1/20 0.35
NTRK3 Q16288 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
SCHEMBL1643672 0.91 PTGDR2 (0.42) PTGDR2IRAK1IRAK4TNIKFGFR1
SCHEMBL1643720 0.88 FAAH (0.44) PTGDR2HTTCYP3A4GAANPSR1
SCHEMBL1644514 0.87 FAAH (0.44) PTGDR2IRAK1IRAK4TNIKPIM1
SCHEMBL1644040 0.84 CA5A (0.39) PTGDR2HTTCYP3A4GAANPSR1
SCHEMBL13760772 0.83 PTGDR2 (0.47) PTGDR2CFD
SCHEMBL1645218 0.83 CPT1A (0.47) PTGDR2HTTCYP3A4GAANPSR1
SCHEMBL1643513 0.83 ALDH1A1 (0.43) HTTCYP3A4GAANPSR1ALDH1A1
SCHEMBL1642815 0.82 PTGDR2 (0.38) PTGDR2HTTCYP3A4GAANPSR1
SCHEMBL13760738 0.81 HTT (0.40) PTGDR2HTTCYP3A4GAANPSR1
SCHEMBL1643429 0.80 PTGDR2 (0.48) PTGDR2CYP3A4

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242145-B2 Cyclic diaryl ether compounds as antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2012-08-14 US claimed
US-20110098302-A1 CYCLIC DIARYL ETHER COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-28 US claimed
EP-2257536-A2 CYCLIC DIARYL ETHER AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2010-12-08 EP claimed
WO-2009102893-A2 CYCLIC DIARYL ETHER COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 receptors AMIRA PHARMACEUTICALS, INC. (US) 2009-08-20 WO claimed
US-8242145-B2 Cyclic diaryl ether compounds as antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2012-08-14 US disclosed
US-8242145-B2 Cyclic diaryl ether compounds as antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2012-08-14 US disclosed
US-8242145-B2 Cyclic diaryl ether compounds as antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2012-08-14 US disclosed
US-20110098302-A1 CYCLIC DIARYL ETHER COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-28 US disclosed
US-20110098302-A1 CYCLIC DIARYL ETHER COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-28 US disclosed
US-20110098302-A1 CYCLIC DIARYL ETHER COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-28 US disclosed
EP-2257536-A2 CYCLIC DIARYL ETHER AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2010-12-08 EP disclosed
WO-2009102893-A2 CYCLIC DIARYL ETHER COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 receptors AMIRA PHARMACEUTICALS, INC. (US) 2009-08-20 WO 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-20110098302-A1 CYCLIC DIARYL ETHER COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER1 PTGDR2 2/4885IRAK1 2310/4885IRAK4 2966/4885

“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.