SCHEMBL1645218

SCHEMBL1645218

COc1ccc(CC(=O)O)cc1Oc1ccc(Cl)cc1CN1CCOC1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 6/20 0.47
CPT1B Q92523 6/20 0.47
CPT2 P23786 1/20 0.42
PTGDR2 Q9Y5Y4 8/20 0.42
HTT P42858 1/20 0.41
PTGDR Q13258 3/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL3484548 0.91 PTGDR2 (0.43) CPT1ACPT1BPTGDR2PTGDRGAA
SCHEMBL1643733 0.89 LMNA (0.41) CPT1ACPT1BHTTALDH1A1
SCHEMBL1643513 0.89 ALDH1A1 (0.43) HTTCYP3A4GAANPSR1ALDH1A1
SCHEMBL1645115 0.88 CPT1A (0.53) CPT1ACPT1BCPT2PTGDR2CYP3A4
SCHEMBL13760738 0.87 HTT (0.40) CPT1ACPT1BPTGDR2HTTCYP3A4
SCHEMBL1643720 0.87 FAAH (0.44) PTGDR2HTTCYP3A4GAANPSR1
SCHEMBL1643429 0.86 PTGDR2 (0.48) PTGDR2PTGDRCYP3A4
SCHEMBL1644669 0.86 PTGDR2 (0.48) CPT1ACPT1BCPT2PTGDR2PTGDR
SCHEMBL1644063 0.85 MAPT (0.51) HTTCYP3A4GAAALDH1A1TDP1
SCHEMBL1645540 0.84 CYP3A4 (0.49) CPT1ACPT1BCPT2PTGDR2HTT

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 9 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
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
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 CPT1A 1352/4885CPT1B 1093/4885CPT2 521/4885

“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.