SCHEMBL4098536

SCHEMBL4098536

COc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3C(=O)O)c2)cc1OC

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.84
PIM1 P11309 1/20 0.84
MAPK8 P45983 1/20 0.84
CLK4 Q9HAZ1 1/20 0.84
ALDH1A1 P00352 4/20 0.70
MEN1 O00255 5/20 0.67
KMT2A Q03164 5/20 0.67
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
HTT P42858 1/20 0.67
KCNH2 Q12809 1/20 0.67
POLB P06746 2/20 0.62
PKM P14618 2/20 0.61
NR1H4 Q96RI1 2/20 0.61
PPARG P37231 1/20 0.61
PPARA Q07869 1/20 0.61
MAPK1 P28482 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
PDE4D Q08499 1/20 0.59
KCNK3 O14649 1/20 0.59

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
SCHEMBL10026584 0.92 CHEK1 (1.00) CHEK1PIM1MAPK8CLK4ALDH1A1
SCHEMBL13870836 0.90 CHEK1 (0.67) CHEK1PIM1MAPK8CLK4ALDH1A1
SCHEMBL13870844 0.88 CHEK1 (0.65) CHEK1PIM1MAPK8CLK4ALDH1A1
SCHEMBL4097163 0.87 KCNK9 (0.72) CHEK1PIM1MAPK8CLK4ALDH1A1
SCHEMBL14855642 0.85 KMT2A (0.79) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL26808968 0.83 KMT2A (0.68) ALDH1A1MEN1KMT2AHTTPOLB
SCHEMBL4141962 0.82 MEN1 (0.89) CHEK1PIM1MAPK8CLK4ALDH1A1
SCHEMBL4669123 0.82 CHEK1 (0.81) CHEK1PIM1MAPK8CLK4ALDH1A1
SCHEMBL4670317 0.82 CHEK1 (0.81) CHEK1PIM1MAPK8CLK4ALDH1A1
SCHEMBL13870852 0.82 KMT2A (0.69) CHEK1PIM1MAPK8CLK4MEN1

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-20090105218-A1 CRTH2 Receptor Ligands For Therapeutic Use 7TM PHARMA A/S (DK) 2009-04-23 US disclosed
US-20090105218-A1 CRTH2 Receptor Ligands For Therapeutic Use 7TM PHARMA A/S (DK) 2009-04-23 US disclosed
US-20090105218-A1 CRTH2 Receptor Ligands For Therapeutic Use 7TM PHARMA A/S (DK) 2009-04-23 US disclosed
EP-1758571-A1 CRTH2 RECEPTOR LIGANDS FOR THERAPEUTIC USE 7TM Pharma A/S (DK) 2007-03-07 EP disclosed
WO-2005115374-A1 CRTH2 RECEPTOR LIGANDS FOR THERAPEUTIC USE 7TM PHARMA A/S (DK) 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-20090105218-A1 CRTH2 Receptor Ligands For Therapeutic Use NR1H2, NR1H3, HRH2 CHEK1 3565/4885PIM1 3168/4885MAPK8 3779/4885

“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.