SCHEMBL2591691

SCHEMBL2591691

COc1ccc(-c2cccc3c2COC3=O)c(OCC(C)(C)C(=O)OCC2CCC2)c1OC

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.37
PDE4B Q07343 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
MAOB P27338 3/20 0.32
MAOA P21397 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
KCNJ1 P48048 1/20 0.32

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
SCHEMBL2593115 0.89 PDE4D (0.39) PDE4DPDE4BHDAC4HDAC2HDAC8
SCHEMBL14738002 0.89 PDE4D (0.38) PDE4DHDAC4HDAC2HDAC8MAOB
SCHEMBL14737389 0.87 PDE4D (0.36) PDE4DHDAC4HDAC2HDAC8MAOB
SCHEMBL2591292 0.87 PDE4D (0.36) PDE4DHDAC4HDAC2HDAC8MAOB
SCHEMBL14738022 0.87 ALDH1A1 (0.42) PDE4DPDE4BHDAC4HDAC2HDAC8
SCHEMBL2593604 0.87 PDE4D (0.38) PDE4DHDAC4HDAC2HDAC8MAOB
SCHEMBL2583928 0.86 HDAC4 (0.38) PDE4DHDAC4HDAC2HDAC8MAOB
SCHEMBL2592831 0.86 PDE4D (0.38) PDE4DHDAC4HDAC2HDAC8MAOB
SCHEMBL14737370 0.86 PDE4D (0.38) PDE4DHDAC4HDAC2HDAC8MAOB
SCHEMBL2588279 0.86 PDE4D (0.36) PDE4DHDAC4HDAC2HDAC8MAOB

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
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 10/4885PDE4B 5/4885HDAC4 105/4885

“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.