SCHEMBL3532111

SCHEMBL3532111

CN(CCOc1ccc(CC(=O)O)cc1Br)c1cccc(CNCCOc2ccc(CC(=O)O)cc2Br)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
S1PR2 O95136 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
LPAR2 Q9HBW0 1/20 0.37
CD274 Q9NZQ7 2/20 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
SCHEMBL3538789 0.89 LTB4R (0.45) KDM4E
SCHEMBL3532113 0.87 HRH3 (0.44) HRH3KDM4ELMNAALDH1A1GAA
SCHEMBL3533911 0.79 LTB4R (0.38) KDM4ES1PR2S1PR1S1PR3LPAR2
SCHEMBL3532519 0.76 PRKAG1 (0.34) MEN1KMT2ASMN1; SMN2
SCHEMBL3538793 0.75 LTB4R (0.53) KDM4ELMNAALDH1A1TDP1
SCHEMBL3532369 0.74 CYP2D6 (0.41) KDM4ETDP1L3MBTL1CYP2D6
SCHEMBL3532533 0.73 MTNR1A (0.33) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL3534804 0.71 PPARG (0.56)
SCHEMBL3542196 0.71 PPARG (0.56)
SCHEMBL3531507 0.70 PLA2G4B (0.50) KDM4ELMNAALDH1A1

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
EP-1578716-A1 DICARBOXYLIC ACID DERIVATIVES AS PPAR-AGONISTS NOVO NORDISK A/S (DK) 2005-09-28 EP claimed
US-20040259950-A1 Novel compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC 2004-12-23 US claimed
WO-2004056740-A1 DICARBOXYLIC ACID DERIVATIVES AS PPAR-AGONISTS NOVO NORDISK A/S (DK) 2004-07-08 WO claimed
US-7816385-B2 Dimeric dicarboxylic acid derivatives, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2010-10-19 US disclosed
EP-1578716-A1 DICARBOXYLIC ACID DERIVATIVES AS PPAR-AGONISTS NOVO NORDISK A/S (DK) 2005-09-28 EP disclosed
US-20040259950-A1 Novel compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC 2004-12-23 US disclosed
WO-2004056740-A1 DICARBOXYLIC ACID DERIVATIVES AS PPAR-AGONISTS NOVO NORDISK A/S (DK) 2004-07-08 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-20040259950-A1 Novel compounds, their preparation and use PPARG, PPARA, PPARD HRH3 2672/4885MEN1 4854/4885KMT2A 3999/4885

“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.