SCHEMBL1009328

SCHEMBL1009328

COC(=O)N(Cc1ccccc1)Cc1cc(Br)ccc1Oc1cc(CC(=O)O)ccc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.58
TBXA2R P21731 3/20 0.58
PTGDR Q13258 3/20 0.58
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
CETP P11597 1/20 0.44
CYP3A4 P08684 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LPAR1 Q92633 1/20 0.43
LPAR2 Q9HBW0 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
PTGIR P43119 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL1009878 0.91 PTGDR2 (0.48) PTGDR2TBXA2RPTGDRBCHEACHE
SCHEMBL1011110 0.90 PTGDR2 (0.57) PTGDR2TBXA2RPTGDRCYP3A4ALDH1A1
SCHEMBL1943268 0.90 PTGDR2 (0.48) PTGDR2TBXA2RPTGDRBCHEACHE
SCHEMBL1008953 0.87 PTGDR2 (0.52) PTGDR2TBXA2RPTGDRCETPKDM4E
SCHEMBL1009650 0.85 PTGDR2 (0.80) PTGDR2TBXA2RPTGDRCETPCYP3A4
SCHEMBL1009864 0.82 PTGDR2 (0.46) PTGDR2TBXA2RPTGDRCYP3A4ALDH1A1
SCHEMBL1009218 0.82 PTGDR2 (0.48) PTGDR2TBXA2RPTGDRBCHEACHE
SCHEMBL1943615 0.81 BCHE (0.42) PTGDR2TBXA2RPTGDRBCHEACHE
SCHEMBL1944011 0.80 PTGDR2 (0.45) PTGDR2TBXA2RPTGDRCETPKDM4E
SCHEMBL13580762 0.79 PTGDR2 (0.48) PTGDR2TBXA2RPTGDRBCHEACHE

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426449-B2 Aminoalkylphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-04-23 US claimed
US-20110130453-A1 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-06-02 US claimed
US-8426449-B2 Aminoalkylphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-04-23 US disclosed
US-8426449-B2 Aminoalkylphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-04-23 US disclosed
US-8426449-B2 Aminoalkylphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-04-23 US disclosed
US-20110130453-A1 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
US-20110130453-A1 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
US-20110130453-A1 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
EP-2268611-A2 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-01-05 EP disclosed
WO-2009145989-A2 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-12-03 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-20110130453-A1 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885TBXA2R 7/4885PTGDR 1/4885

“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.