SCHEMBL2585752

SCHEMBL2585752

CCC(C)OC(=O)C1(Oc2c(-c3ccc4c(c3)CNC4=O)ccc(OC)c2OC)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.41
POLQ O75417 1/20 0.36
TDP2 O95551 2/20 0.35
MAPKAPK2 P49137 1/20 0.35
GSK3B P49841 2/20 0.34
DAPK3 O43293 1/20 0.34
NTRK1 P04629 1/20 0.34
PIM1 P11309 1/20 0.34
FLT3 P36888 1/20 0.34
ROCK1 Q13464 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
TARS1 P26639 1/20 0.34
PRF1 P14222 1/20 0.33
BRAF P15056 1/20 0.32
PRKCI P41743 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 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
SCHEMBL2592012 0.91 PDE4D (0.38) PDE4DPOLQTDP2MAPKAPK2GSK3B
SCHEMBL2589179 0.87 GSK3B (0.39) PDE4DPOLQTDP2MAPKAPK2GSK3B
SCHEMBL2593296 0.87 TDP2 (0.40) PDE4DPOLQTDP2MAPKAPK2GSK3B
SCHEMBL2584640 0.87 PDE4D (0.40) PDE4DPOLQTDP2MAPKAPK2GSK3B
SCHEMBL14737405 0.86 PDE4D (0.39) PDE4DPOLQTDP2MAPKAPK2GSK3B
SCHEMBL14736815 0.86 PDE4D (0.39) PDE4DPOLQTDP2MAPKAPK2GSK3B
SCHEMBL14736905 0.86 PDE4D (0.40) PDE4DPOLQTDP2MAPKAPK2GSK3B
SCHEMBL14736778 0.86 PDE4D (0.40) PDE4DPOLQTDP2MAPKAPK2GSK3B
SCHEMBL2592614 0.86 PDE4D (0.39) PDE4DPOLQTDP2MAPKAPK2GSK3B
SCHEMBL14737922 0.86 PDE4D (0.42) PDE4DHSD17B10ADORA1

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 10/4885POLQ 1717/4885TDP2 54/4885

“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.