SCHEMBL2589189

SCHEMBL2589189

COc1ccc(-c2cccc3c2COC3=O)c(OC(=O)CC(C)C)c1OC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 6/20 0.44
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
MAOB P27338 4/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL14737265 0.88 HDAC4 (0.41) PDE4DHDAC4HDAC2HDAC8KDM4E
SCHEMBL14737687 0.87 PDE4D (0.41) PDE4DHDAC4HDAC2HDAC8KDM4E
SCHEMBL14737169 0.86 HDAC4 (0.40) PDE4DHDAC4HDAC2HDAC8KDM4E
SCHEMBL14735905 0.86 HDAC4 (0.41) PDE4DHDAC4HDAC2HDAC8KDM4E
SCHEMBL14737589 0.85 HDAC4 (0.39) PDE4DHDAC4HDAC2HDAC8KDM4E
SCHEMBL14734725 0.85 PDE4D (0.40) PDE4DHDAC4HDAC2HDAC8KDM4E
SCHEMBL14736942 0.84 POLM (0.39) PDE4DHDAC4HDAC2HDAC8KDM4E
SCHEMBL14737231 0.84 ALDH1A1 (0.52) PDE4DHDAC4HDAC2HDAC8KDM4E
SCHEMBL14734742 0.84 PDE4D (0.43) PDE4DHDAC4HDAC2HDAC8KDM4E
SCHEMBL2595177 0.83 HDAC4 (0.38) PDE4DHDAC4HDAC2HDAC8KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US claimed
EP-2563770-B1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2016-03-23 EP disclosed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US disclosed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US disclosed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US disclosed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 US disclosed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 US disclosed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 US disclosed
EP-2563770-A1 BIARYL PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2013-03-06 EP disclosed
WO-2011134468-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2011-11-03 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-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS PDE3B, PDE3A, PDE4A PDE4D 10/4885HDAC4 105/4885HDAC2 77/4885

“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.