SCHEMBL14737334

SCHEMBL14737334

CCC(C)C(=O)OC1(COc2c(-c3cccc4c3COC4=O)ccc(OC)c2OC)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 10/20 0.39
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
KCNJ1 P48048 4/20 0.33
MAOB P27338 1/20 0.33
KCNH2 Q12809 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 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
SCHEMBL2588006 0.92 PDE4D (0.38) PDE4DPDE4APDE4BPDE4CHDAC4
SCHEMBL14737379 0.92 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CHDAC4
SCHEMBL14750338 0.87 PDE4D (0.37) PDE4DHDAC4HDAC2HDAC8KCNJ1
SCHEMBL14750336 0.87 PDE4D (0.38) PDE4DHDAC4HDAC2HDAC8KCNJ1
SCHEMBL14734742 0.87 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CHDAC4
SCHEMBL2581820 0.87 ALDH1A1 (0.43) PDE4DHDAC4HDAC2HDAC8KDM4E
SCHEMBL2583982 0.86 PDE4D (0.36) PDE4DHDAC4HDAC2HDAC8KCNJ1
SCHEMBL14736862 0.85 KDR (0.33) HDAC4HDAC2HDAC8
SCHEMBL14737034 0.85 PDE4D (0.39) PDE4DHDAC4HDAC2HDAC8KCNJ1
SCHEMBL2590050 0.84 PDE4D (0.45) PDE4DPDE4APDE4BPDE4C

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 10/4885PDE4A 3/4885PDE4B 5/4885

“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.