SCHEMBL1643239

SCHEMBL1643239

COc1ccc(CC(=O)O)cc1Oc1ccc(NC(=O)C2CCCCC2)cc1CN1CCOC1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.46
POLB P06746 2/20 0.42
SSTR1 P30872 1/20 0.40
SSTR5 P35346 1/20 0.40
HRH1 P35367 1/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
PTGDR2 Q9Y5Y4 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
CCR5 P51681 1/20 0.39
GRM2 Q14416 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL1643754 0.91 SSTR1 (0.42) POLBSSTR1SSTR5HRH1NPSR1
SCHEMBL1645540 0.86 CYP3A4 (0.49) CYP3A4PTGDR2SMN1; SMN2LMNAHTT
SCHEMBL1643178 0.85 CYP3A4 (0.63) CYP3A4PTGDR2SMN1; SMN2LMNAHTT
SCHEMBL1645192 0.85 CYP3A4 (0.48) CYP3A4PTGDR2NPSR1SMN1; SMN2LMNA
SCHEMBL1644656 0.85 MAPT (0.48) CYP3A4POLBACHEPTGDR2NPSR1
SCHEMBL1643727 0.83 CYP3A4 (0.46) CYP3A4PTGDR2SMN1; SMN2LMNAALDH1A1
SCHEMBL1643996 0.83 CYP3A4 (0.46) CYP3A4POLBPTGDR2SMN1; SMN2LMNA
SCHEMBL1645115 0.83 CPT1A (0.53) CYP3A4PTGDR2SMN1; SMN2LMNAALDH1A1
SCHEMBL1643590 0.82 CYP3A4 (0.44) CYP3A4POLBPTGDR2NPSR1GAA
SCHEMBL1643724 0.82 CYP3A4 (0.45) CYP3A4POLBPTGDR2NPSR1GAA

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 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

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 CYP3A4 1012/4885POLB 3250/4885SSTR1 1128/4885

“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.