SCHEMBL1011312

SCHEMBL1011312

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
ALDH1A1 P00352 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
CTSD P07339 1/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPK1 P28482 1/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 1/20 0.38
MITF O75030 1/20 0.38
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
GLA P06280 1/20 0.37
DRD2 P14416 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL1011325 0.88 PTGDR2 (0.49) PKMALOX15ALDH1A1KDM4ECYP3A4
SCHEMBL1944249 0.86 PTGDR2 (0.55) CYP1A2CYP3A4CYP2C19PTGDR2
SCHEMBL1009816 0.85 PTGDR2 (0.53) CYP3A4PTGDR2
SCHEMBL1065612 0.85 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTHTTCYP1A2
SCHEMBL13521900 0.84 L3MBTL1 (0.41) ALDH1A1L3MBTL1ABL1RIN1CTSD
SCHEMBL1943271 0.82 CYP3A4 (0.56) L3MBTL1GAAMAPTHTTCYP3A4
SCHEMBL349203 0.80 CYP3A4 (0.40) ALDH1A1L3MBTL1ABL1RIN1CTSD
SCHEMBL349119 0.80 CYP3A4 (0.55) ALDH1A1L3MBTL1ABL1RIN1CTSD
SCHEMBL1943002 0.80 PTGDR2 (0.45) ALDH1A1GAAMAPTHTTCYP3A4
SCHEMBL1944721 0.80 ABL1 (0.42) ALDH1A1ABL1RIN1KDM4EGAA

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 PKM 1942/4885ALOX15 83/4885ALDH1A1 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.