SCHEMBL1645241

SCHEMBL1645241

CCOC(=O)Cc1cc(Oc2ccc(Br)cc2CO)ccc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
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
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TP53 P04637 1/20 0.35
NPC1 O15118 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
ATM Q13315 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL1643602 0.92 SLC6A4 (0.42) SLC6A4MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL13761004 0.88 AR (0.36) ARNPC1RAB9AFFAR1THRA
SCHEMBL11965266 0.86 PTGDR2 (0.43) SLC6A4PTGDR2MAPTALDH1A1LMNA
SCHEMBL1643578 0.86 PTGDR2 (0.40) SLC6A4PTGDR2MAPTALDH1A1LMNA
SCHEMBL1643221 0.84 SLC6A4 (0.47) SLC6A4PTGDR2MAPTALDH1A1LMNA
SCHEMBL1645250 0.80 SLC6A4 (0.44) SLC6A4PTGDR2MAPTALDH1A1LMNA
SCHEMBL3483384 0.79 PTGDR2 (0.39) SLC6A4PTGDR2MAPTALDH1A1LMNA
SCHEMBL13761005 0.79 AR (0.34) MAPTALDH1A1LMNACYP1A2CYP2C9
SCHEMBL31053239 0.79 CYP2C9 (0.51) SLC6A4MAPTALDH1A1CYP1A2CYP2C9
SCHEMBL1644135 0.78 F10 (0.44) PTGDR2MAPTALDH1A1LMNACYP1A2

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 4191/4885PTGDR2 2/4885MAPT 4875/4885

“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.