SCHEMBL1009931

SCHEMBL1009931

CCN(Cc1cc(NC(=O)c2ccc(Cl)cc2)ccc1Oc1cc(CC(=O)O)ccc1OC)C(C)=O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 13/20 0.55
CYP3A4 P08684 2/20 0.49
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
TBXA2R P21731 2/20 0.47
PTGDR Q13258 2/20 0.47
CYP2C9 P11712 1/20 0.47
PTGIR P43119 1/20 0.47
CPT1A P50416 4/20 0.46
CPT1B Q92523 4/20 0.46
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
CPT2 P23786 1/20 0.44

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
SCHEMBL1943002 0.91 PTGDR2 (0.45) PTGDR2CYP3A4ALDH1A1SMN1; SMN2MEN1
SCHEMBL1008873 0.89 PTGDR2 (0.53) PTGDR2CYP3A4ALDH1A1SMN1; SMN2MEN1
SCHEMBL1946109 0.89 PTGDR2 (0.65) PTGDR2CYP3A4ALDH1A1SMN1; SMN2TBXA2R
SCHEMBL1008947 0.84 CYP3A4 (0.69) PTGDR2CYP3A4TBXA2RPTGDRCYP2C9
SCHEMBL349453 0.82 CYP3A4 (0.57) PTGDR2CYP3A4MEN1GAAKMT2A
SCHEMBL13580793 0.82 PTGDR2 (0.45) PTGDR2CYP3A4ALDH1A1SMN1; SMN2MEN1
SCHEMBL1942958 0.82 PTGDR2 (0.56) PTGDR2CYP3A4ALDH1A1SMN1; SMN2MEN1
SCHEMBL349708 0.82 CYP3A4 (0.56) PTGDR2CYP3A4SMN1; SMN2MEN1GAA
SCHEMBL349851 0.82 CYP3A4 (0.74) PTGDR2CYP3A4MEN1GAAKMT2A
SCHEMBL347501 0.81 PTGDR2 (0.56) PTGDR2CYP3A4ALDH1A1SMN1; SMN2PTGDR

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
EP-2268611-A2 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-01-05 EP claimed
WO-2009145989-A2 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-12-03 WO 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

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 1269/4885ALDH1A1 1769/4885

“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.