SCHEMBL1644713

SCHEMBL1644713

COC(=O)Cc1ccc(OC)c(Oc2cc(Br)ccc2CO)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
GAA P10253 2/20 0.40
SMPD1 P17405 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL1643585 0.92 MEN1 (0.47) ABL1RIN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL1644709 0.91 ABL1 (0.46) ABL1RIN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL1644872 0.84 ABL1 (0.47) ABL1RIN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL13760789 0.84 ALDH1A1 (0.41) ABL1RIN1ALDH1A1MAPTHTT
SCHEMBL1643074 0.82 ABL1 (0.48) ABL1RIN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL347144 0.81 ABL1 (0.47) ABL1RIN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL1008948 0.81 KDM4E (0.47) ABL1RIN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL1009071 0.81 ALDH1A1 (0.49) ABL1RIN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL1944721 0.78 ABL1 (0.42) ABL1RIN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL1009218 0.78 PTGDR2 (0.48) ABL1RIN1MEN1KMT2APOLB

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 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

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 ABL1 3377/4885RIN1 3975/4885SMN1; 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.