SCHEMBL1643545

SCHEMBL1643545

CCOC(=O)Cc1cc(Cl)cc(Oc2ccc(Br)cc2CO)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.43
CCR5 P51681 1/20 0.39
EPAS1 Q99814 1/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
PTGER1 P34995 1/20 0.37
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
KCNH2 Q12809 1/20 0.37
GAA P10253 1/20 0.36
MAOB P27338 1/20 0.36
NPC1 O15118 1/20 0.35
PTGDR Q13258 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PKM P14618 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
SCHEMBL1643092 0.91 CCR5 (0.39) PTGDR2CCR5MAPTALDH1A1PTGER1
SCHEMBL13760687 0.90 CCR5 (0.39) PTGDR2CCR5MAPTALDH1A1LMNA
SCHEMBL13760686 0.87 EPAS1 (0.39) PTGDR2EPAS1MAPTMAOBPTGDR
SCHEMBL1643111 0.87 PTGDR2 (0.43) PTGDR2EPAS1MAPTALDH1A1LMNA
SCHEMBL1644135 0.84 F10 (0.44) PTGDR2MAPTALDH1A1LMNANPC1
SCHEMBL1645250 0.84 SLC6A4 (0.44) PTGDR2EPAS1MAPTALDH1A1LMNA
SCHEMBL1644616 0.84 PTGDR2 (0.44) PTGDR2CCR5EPAS1MAPTALDH1A1
SCHEMBL1643221 0.81 SLC6A4 (0.47) PTGDR2CCR5MAPTALDH1A1LMNA
SCHEMBL1644029 0.81 PTGDR2 (0.41) PTGDR2CCR5MAPTALDH1A1LMNA
SCHEMBL1644793 0.81 CCR5 (0.42) CCR5MAPTALDH1A1PTGER1NPC1

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 6 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

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 PTGDR2 2/4885CCR5 898/4885EPAS1 575/4885

“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.