SCHEMBL1942958

SCHEMBL1942958

CCOC(=O)Cc1ccc(OC)c(Oc2ccc(NC(=O)c3ccc(Cl)cc3)cc2CN(CC)C(=O)OCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 16/20 0.56
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
TBXA2R P21731 2/20 0.49
PTGIR P43119 2/20 0.49
PTGDR Q13258 2/20 0.49
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL1946109 0.93 PTGDR2 (0.65) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR
SCHEMBL134717 0.91 PTGDR2 (0.69) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR
SCHEMBL1943002 0.89 PTGDR2 (0.45) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR
SCHEMBL1944126 0.86 ACKR3 (0.46) PTGDR2CYP3A4PTGDRALDH1A1SMN1; SMN2
SCHEMBL1942960 0.85 PTGDR2 (0.44) PTGDR2CYP3A4ALDH1A1SMN1; SMN2HPGD
SCHEMBL347736 0.85 CYP3A4 (0.46) PTGDR2CYP3A4ALDH1A1SMN1; SMN2HPGD
SCHEMBL134735 0.84 PTGDR2 (0.79) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR
SCHEMBL13521963 0.83 PTGDR2 (0.48) PTGDR2CYP3A4ALDH1A1SMN1; SMN2HPGD
SCHEMBL348266 0.83 MAPT (0.47) PTGDR2CYP3A4ALDH1A1SMN1; SMN2HPGD
SCHEMBL1944249 0.82 PTGDR2 (0.55) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR

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 7 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
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 2/4885CYP3A4 1269/4885CYP2C9 1081/4885

“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.