SCHEMBL1644798

SCHEMBL1644798

CCOC(=O)Cc1ccc(OC)c(Oc2ccc(NC(=O)C(C)(C)C)cc2CN2CCOC2=O)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 2/20 0.39
LMNA P02545 3/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
DRD2 P14416 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
EPHX2 P34913 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
MAPK1 P28482 2/20 0.35
HTT P42858 1/20 0.35
CNR2 P34972 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
SCHEMBL1643178 0.90 CYP3A4 (0.63) CYP3A4L3MBTL1MAPTLMNAPTGDR2
SCHEMBL1643912 0.90 L3MBTL1 (0.44) CYP3A4L3MBTL1MAPTLMNAPTGDR2
SCHEMBL1643702 0.89 L3MBTL1 (0.51) CYP3A4L3MBTL1MAPTLMNAPTGDR2
SCHEMBL1643253 0.88 L3MBTL1 (0.46) L3MBTL1MAPTLMNAPTGDR2ALDH1A1
SCHEMBL1644071 0.86 L3MBTL1 (0.41) L3MBTL1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL1643664 0.86 CPT1A (0.44) L3MBTL1MAPTLMNAPTGDR2ALDH1A1
SCHEMBL13761020 0.86 L3MBTL1 (0.41) CYP3A4L3MBTL1MAPTLMNAPTGDR2
SCHEMBL1643754 0.86 SSTR1 (0.42) L3MBTL1LMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL1643242 0.86 L3MBTL1 (0.40) CYP3A4L3MBTL1MAPTLMNAPTGDR2
SCHEMBL1644812 0.86 MAPT (0.44) CYP3A4L3MBTL1MAPTLMNAPTGDR2

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 7 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
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 CYP3A4 1012/4885L3MBTL1 4114/4885MAPT 4875/4885

“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.