SCHEMBL1644751

SCHEMBL1644751

CCOC(=O)Cc1ccc(Cl)c(Oc2ccc(Br)cc2CBr)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
ALDH1A1 P00352 3/20 0.38
CCR5 P51681 2/20 0.38
TSHR P16473 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
DRD2 P14416 1/20 0.38
POLB P06746 1/20 0.38
HTR2A P28223 2/20 0.37
SLC6A4 P31645 2/20 0.37
MAPT P10636 2/20 0.37
KCNH2 Q12809 1/20 0.37
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
ALOX15 P16050 1/20 0.36
CRHBP P24387 1/20 0.36
HTT P42858 1/20 0.36
CRHR2 Q13324 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL1644029 0.91 PTGDR2 (0.41) CYP4F2CYP4A11ALDH1A1CCR5TSHR
SCHEMBL13761108 0.90 ALDH1A1 (0.38) CYP4F2CYP4A11ALDH1A1CCR5TSHR
SCHEMBL349557 0.88 ABL1 (0.47) ALDH1A1TSHRMEN1KMT2ADRD2
SCHEMBL349864 0.84 LMNA (0.44) CYP4F2CYP4A11ALDH1A1MEN1KMT2A
SCHEMBL1644136 0.83 PTGDR2 (0.43) CYP4F2CYP4A11ALDH1A1MEN1KMT2A
SCHEMBL1643557 0.82 SLC6A4 (0.47) CYP4F2CYP4A11ALDH1A1CCR5TSHR
SCHEMBL1643092 0.81 CCR5 (0.39) CYP4F2CYP4A11ALDH1A1CCR5TSHR
SCHEMBL1644681 0.81 F10 (0.44) TSHRMEN1KMT2AHTR2ASLC6A4
SCHEMBL13760731 0.81 ABL1 (0.49) ALDH1A1TSHRMEN1KMT2ADRD2
SCHEMBL347811 0.80 DRD2 (0.44) ALDH1A1MEN1KMT2ADRD2POLB

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 CYP4F2 866/4885CYP4A11 395/4885ALDH1A1 2220/4885

“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.