SCHEMBL1644656

SCHEMBL1644656

COc1ccc(CC(=O)O)cc1Oc1ccc(NC(=O)Cc2ccccc2)cc1CN1CCOC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
CYP3A4 P08684 1/20 0.47
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
PTGDR2 Q9Y5Y4 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 3/20 0.45
HTT P42858 3/20 0.45
MEN1 O00255 2/20 0.45
NPSR1 Q6W5P4 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
RAB9A P51151 1/20 0.44
KDR P35968 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL1643253 0.91 L3MBTL1 (0.46) MAPTBCHEACHEPTGDR2SMN1; SMN2
SCHEMBL1645192 0.91 CYP3A4 (0.48) MAPTCYP3A4PTGDR2SMN1; SMN2KMT2A
SCHEMBL1643724 0.91 CYP3A4 (0.45) MAPTCYP3A4PTGDR2KMT2AMEN1
SCHEMBL1643727 0.90 CYP3A4 (0.46) MAPTCYP3A4PTGDR2SMN1; SMN2KMT2A
SCHEMBL1645540 0.88 CYP3A4 (0.49) MAPTCYP3A4PTGDR2SMN1; SMN2LMNA
SCHEMBL1643178 0.88 CYP3A4 (0.63) MAPTCYP3A4PTGDR2SMN1; SMN2LMNA
SCHEMBL1643996 0.85 CYP3A4 (0.46) MAPTCYP3A4PTGDR2SMN1; SMN2KMT2A
SCHEMBL1645115 0.85 CPT1A (0.53) MAPTCYP3A4PTGDR2SMN1; SMN2LMNA
SCHEMBL1643239 0.85 CYP3A4 (0.46) MAPTCYP3A4ACHEPTGDR2SMN1; SMN2
SCHEMBL1643720 0.85 FAAH (0.44) MAPTCYP3A4PTGDR2SMN1; SMN2HTT

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 MAPT 4875/4885CYP3A4 1012/4885BCHE 4406/4885

“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.