SCHEMBL1643585

SCHEMBL1643585

COC(=O)Cc1ccc(OC)c(Oc2ccc(Br)cc2CO)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ABL1 P00519 1/20 0.47
RIN1 Q13671 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.45
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
CYP3A4 P08684 1/20 0.41
SMPD1 P17405 1/20 0.41

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
SCHEMBL1644713 0.92 ABL1 (0.46) MEN1KMT2AABL1RIN1ALDH1A1
SCHEMBL1644872 0.90 ABL1 (0.47) MEN1KMT2AABL1RIN1ALDH1A1
SCHEMBL347144 0.90 ABL1 (0.47) MEN1KMT2AABL1RIN1PTGDR2
SCHEMBL1009071 0.86 ALDH1A1 (0.49) MEN1KMT2AABL1RIN1ALDH1A1
SCHEMBL1644709 0.84 ABL1 (0.46) MEN1KMT2AABL1RIN1ALDH1A1
SCHEMBL1944721 0.83 ABL1 (0.42) MEN1KMT2AABL1RIN1PTGDR2
SCHEMBL1009218 0.83 PTGDR2 (0.48) MEN1KMT2AABL1RIN1PTGDR2
SCHEMBL1643019 0.82 LMNA (0.47) KMT2APTGDR2SMN1; SMN2LMNAKDM4E
SCHEMBL1008948 0.82 KDM4E (0.47) ABL1RIN1PTGDR2ALDH1A1SMN1; SMN2
SCHEMBL13760731 0.82 ABL1 (0.49) MEN1KMT2AABL1RIN1ALDH1A1

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 MEN1 4770/4885KMT2A 4201/4885ABL1 3377/4885

“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.