SCHEMBL14736982

SCHEMBL14736982

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.39
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
PDE4B Q07343 1/20 0.35
MAOB P27338 3/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
MAOA P21397 1/20 0.34
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KCNJ1 P48048 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
ATM Q13315 1/20 0.33
MIF P14174 1/20 0.33
ACHE P22303 1/20 0.33
PDE1C Q14123 1/20 0.33

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
SCHEMBL2585272 0.96 PDE4D (0.40) PDE4DHDAC4HDAC2HDAC8PDE4B
SCHEMBL2591761 0.94 PDE4D (0.37) PDE4DPDE4BMAOBKDM4EMAOA
SCHEMBL17614015 0.91 MAOB (0.34) PDE4DMAOBMAOAKCNJ1ALDH1A1
SCHEMBL2585631 0.90 PDE4D (0.38) PDE4DKDM4EKCNJ1MEN1KMT2A
SCHEMBL14737513 0.88 PDE4D (0.41) PDE4DHDAC4HDAC2HDAC8MAOB
SCHEMBL2588936 0.86 MEN1 (0.41) PDE4DHDAC4HDAC2HDAC8MAOB
SCHEMBL2592351 0.86 ALDH1A1 (0.46) PDE4DHDAC4HDAC2HDAC8PDE4B
SCHEMBL2591691 0.86 PDE4D (0.37) PDE4DHDAC4HDAC2HDAC8PDE4B
SCHEMBL14737114 0.86 PDE4D (0.41) PDE4DHDAC4HDAC2HDAC8MAOB
SCHEMBL2583912 0.85 HDAC4 (0.41) 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 7 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

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.