SCHEMBL1011325

SCHEMBL1011325

CCOC(=O)Cc1ccc(OC)c(Oc2ccc(N)cc2CN(CC)C(=O)C2CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.49
CYP3A4 P08684 1/20 0.46
PTGDR Q13258 1/20 0.46
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
ATM Q13315 1/20 0.42
KDM4E B2RXH2 1/20 0.39
RECQL P46063 1/20 0.39
LPAR1 Q92633 1/20 0.38
LPAR5 Q9H1C0 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
PKM P14618 1/20 0.37
ALOX15 P16050 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL1011312 0.88 PKM (0.40) PTGDR2CYP3A4ALDH1A1KDM4EPKM
SCHEMBL1944234 0.86 PTGDR2 (0.46) PTGDR2CYP3A4PTGDRMEN1ALDH1A1
SCHEMBL1943646 0.84 CYP3A4 (0.53) PTGDR2CYP3A4PTGDRMEN1ALDH1A1
SCHEMBL1944249 0.82 PTGDR2 (0.55) PTGDR2CYP3A4PTGDRKMT2A
SCHEMBL1944126 0.81 ACKR3 (0.46) PTGDR2CYP3A4PTGDRMEN1ALDH1A1
SCHEMBL13521900 0.80 L3MBTL1 (0.41) CYP3A4MEN1ALDH1A1KMT2AATM
SCHEMBL1011326 0.80 POLB (0.41) MEN1ALDH1A1KMT2AATMCA12
SCHEMBL136154 0.80 PTGDR2 (0.64) PTGDR2CYP3A4PTGDR
SCHEMBL136264 0.79 PTGDR2 (0.65) PTGDR2CYP3A4PTGDR
SCHEMBL136366 0.79 PTGDR2 (0.58) PTGDR2CYP3A4PTGDRMEN1ALDH1A1

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 2/4885CYP3A4 1269/4885PTGDR 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.