SCHEMBL1644616

SCHEMBL1644616

CCOC(=O)Cc1cc(Cl)cc(Oc2ccc(Br)cc2C=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.44
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 2/20 0.37
PABPC1 P11940 1/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
EPAS1 Q99814 1/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 2/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
MAPT P10636 1/20 0.36
GAA P10253 2/20 0.35
MAOB P27338 1/20 0.35
CCR5 P51681 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTGDR Q13258 1/20 0.35
CYP4Z1 Q86W10 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
SCHEMBL1643067 0.87 PTGDR2 (0.44) PTGDR2ALDH1A1CYP1A2CYP2C19POLB
SCHEMBL1643529 0.85 PTGDR2 (0.43) PTGDR2ALDH1A1CYP1A2CYP2C19POLB
SCHEMBL1643169 0.85 PTGDR2 (0.42) PTGDR2ALDH1A1CYP1A2CYP2C19POLB
SCHEMBL1643545 0.84 PTGDR2 (0.43) PTGDR2ALDH1A1EPAS1MAPTGAA
SCHEMBL1643092 0.84 CCR5 (0.39) PTGDR2ALDH1A1TSHRMAPTGAA
SCHEMBL13760687 0.83 CCR5 (0.39) PTGDR2ALDH1A1MAPTGAAMAOB
SCHEMBL1644136 0.82 PTGDR2 (0.43) PTGDR2ALDH1A1CYP1A2CYP2C19POLB
SCHEMBL1643236 0.81 PTGDR2 (0.42) PTGDR2ALDH1A1CYP1A2CYP2C19POLB
SCHEMBL349679 0.78 ALDH1A1 (0.50) PTGDR2ALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL11965265 0.78 PTGDR2 (0.43) PTGDR2ALDH1A1CYP1A2CYP2C19POLB

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 8 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 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 2/4885ALDH1A1 2220/4885CYP1A2 423/4885

“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.