SCHEMBL1644071

SCHEMBL1644071

CCOC(=O)Cc1ccc(OC)c(Oc2ccc(NC(=O)c3ccncc3)cc2CN2CCOC2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 6/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 2/20 0.40
NAMPT P43490 2/20 0.40
ROCK2 O75116 1/20 0.39
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 4/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 1/20 0.37
FLT1 P17948 1/20 0.37
KDR P35968 1/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL1643764 0.92 POLB (0.48) L3MBTL1LMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL1643664 0.91 CPT1A (0.44) L3MBTL1LMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL1643996 0.91 CYP3A4 (0.46) L3MBTL1LMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL1643242 0.88 L3MBTL1 (0.40) L3MBTL1LMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL1643912 0.87 L3MBTL1 (0.44) L3MBTL1LMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL1644798 0.86 CYP3A4 (0.51) L3MBTL1LMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL1643702 0.86 L3MBTL1 (0.51) L3MBTL1LMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL11965285 0.86 L3MBTL1 (0.39) L3MBTL1LMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL1643253 0.85 L3MBTL1 (0.46) L3MBTL1LMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL11965287 0.85 MAPT (0.41) L3MBTL1LMNAPOLBKMT2AMAPT

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 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
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 L3MBTL1 4114/4885LMNA 2386/4885SMN1; SMN2 4772/4885

“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.