SCHEMBL1009816

SCHEMBL1009816

CCOC(=O)Cc1ccc(OC)c(Oc2ccc(C(F)(F)F)cc2CN(CC)C(C)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 0.53
TBXA2R P21731 4/20 0.53
PTGDR Q13258 4/20 0.53
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
PTGIR P43119 2/20 0.51
CETP P11597 5/20 0.45
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 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
SCHEMBL1944008 0.92 PTGDR2 (0.64) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL1943439 0.91 PTGDR2 (0.55) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL1010330 0.89 PTGDR2 (0.66) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL153709 0.89 PTGDR2 (0.68) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL1643088 0.86 PTGDR2 (0.44) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL1011312 0.85 PKM (0.40) PTGDR2CYP3A4
SCHEMBL13761111 0.85 PTGDR2 (0.43) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL1644127 0.85 DRD2 (0.45) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL1008769 0.85 PTGDR2 (0.66) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL1945418 0.83 PTGDR2 (0.47) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9

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-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
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.