SCHEMBL1643641

SCHEMBL1643641

CC(C)(C(=O)O)c1cccc(Oc2ccc(C(F)(F)F)cc2C=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
POLB P06746 2/20 0.46
ALDH1A1 P00352 1/20 0.46
NPSR1 Q6W5P4 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
ATM Q13315 1/20 0.44
MAPT P10636 4/20 0.43
EPAS1 Q99814 1/20 0.41
PPARG P37231 5/20 0.41
PPARA Q07869 4/20 0.41
APP P05067 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 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
SCHEMBL1644741 0.81 EPAS1 (0.48) L3MBTL1NPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL7138558 0.81 LMNA (0.57) L3MBTL1POLBALDH1A1NPSR1CYP1A2
SCHEMBL1644053 0.81 NPSR1 (0.46) L3MBTL1NPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL1643045 0.80 PTGS1 (0.54) L3MBTL1POLBNPSR1CYP1A2CYP2C9
SCHEMBL1008610 0.79 THRB (0.49) L3MBTL1POLBALDH1A1NPSR1CYP1A2
SCHEMBL13760730 0.79 NPSR1 (0.42) L3MBTL1ALDH1A1NPSR1CYP1A2CYP2C9
SCHEMBL6791649 0.77 LMNA (0.60) L3MBTL1POLBALDH1A1NPSR1CYP1A2
SCHEMBL1011232 0.76 CSNK1D (0.45) L3MBTL1POLBALDH1A1NPSR1CYP1A2
SCHEMBL1943674 0.75 F10 (0.43) L3MBTL1POLBALDH1A1NPSR1CYP1A2
SCHEMBL1626915 0.75 APP (0.55) NPSR1MAPTAPPKDM4ELMNA

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 9 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
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 L3MBTL1 4114/4885POLB 3250/4885ALDH1A1 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.