SCHEMBL1643602

SCHEMBL1643602

CCOC(=O)Cc1cc(Oc2ccc(Br)cc2CBr)ccc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.42
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
AR P10275 3/20 0.36
HTR2A P28223 1/20 0.35
KCNH2 Q12809 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
ATM Q13315 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL1645241 0.92 SLC6A4 (0.42) SLC6A4CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL13761005 0.87 AR (0.34) CYP1A2CYP2C9CYP2C19NPSR1AR
SCHEMBL11965268 0.86 SLC6A4 (0.39) SLC6A4NPSR1HTR2AKCNH2TP53
SCHEMBL1643578 0.86 PTGDR2 (0.40) SLC6A4CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL1643557 0.84 SLC6A4 (0.47) SLC6A4HTR2AKCNH2TP53MAPT
SCHEMBL1643581 0.80 SLC6A4 (0.44) SLC6A4CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL1643941 0.79 PTGDR2 (0.46) KCNH2
SCHEMBL1644032 0.79 PTGDR2 (0.46) KCNH2
SCHEMBL1643938 0.79 PTGDR2 (0.46) KCNH2
SCHEMBL13761004 0.79 AR (0.36) ARTHRATHRBNPC1RAB9A

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 4 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-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 SLC6A4 4191/4885CYP1A2 423/4885CYP2C9 734/4885

“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.