SCHEMBL5585925

SCHEMBL5585925

COc1ccc(-c2nc(C)oc2Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.46
PTGS2 P35354 2/20 0.46
ENPP3 O14638 1/20 0.46
NPC1 O15118 8/20 0.45
RAB9A P51151 8/20 0.45
NPSR1 Q6W5P4 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 3/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ADORA1 P30542 1/20 0.44
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
MEN1 O00255 2/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL16421086 0.82 TDP1 (0.41) ALDH1A1HPGDPTGS2ENPP3NPC1
SCHEMBL16696518 0.81 NPSR1 (0.42) NPSR1L3MBTL1
SCHEMBL31194858 0.81 MAPK13 (0.54) ALDH1A1HPGDPTGS2ENPP3NPC1
SCHEMBL202120 0.79 PTGS2 (0.49) ALDH1A1HPGDPTGS2NPC1RAB9A
SCHEMBL31469380 0.78 MAPK13 (0.54) ALDH1A1HPGDPTGS2RAB9ANPSR1
SCHEMBL29154641 0.76 MAPK13 (0.65) ALDH1A1HPGDPTGS2NPC1RAB9A
SCHEMBL10313040 0.75 GAA (0.41) ALDH1A1ADORA1
SCHEMBL15278169 0.75 PTPN1 (0.48) ALDH1A1KMT2ALMNAMEN1
SCHEMBL1106598 0.75 MAPK13 (0.34) ALDH1A1PTGS2KMT2A
SCHEMBL6231072 0.74 ESR2 (0.53) PTGS2NPC1KMT2AKDM4EMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070244130-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2007-10-18 US disclosed
US-20070244130-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2007-10-18 US disclosed
US-20070244130-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2007-10-18 US disclosed
EP-1749003-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-02-07 EP disclosed
WO-2005116016-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2005-12-08 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-20070244130-A1 Compounds and Compositions as Ppar Modulators PPARG, PPARA, PPARD ALDH1A1 1651/4885HPGD 604/4885PTGS2 682/4885

“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.