SCHEMBL2593005

SCHEMBL2593005

CCCCCC(=O)OC(C)(C)COc1c(-c2ccc3c(c2)COC3=O)ccc(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 13/20 0.41
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
PRF1 P14222 2/20 0.39
NR3C1 P04150 2/20 0.37
PGR P06401 2/20 0.37
ABCG2 Q9UNQ0 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36

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
SCHEMBL2589606 0.97 PDE4D (0.42) PDE4DKDM4EMAPTPRF1NR3C1
SCHEMBL2588628 0.94 KDM4E (0.43) PDE4DKDM4EMAPTPRF1NR3C1
SCHEMBL14737516 0.90 PDE4D (0.42) PDE4DKDM4EMAPTPRF1NR3C1
SCHEMBL14737196 0.88 PDE4D (0.40) PDE4DPRF1NR3C1PGRABCG2
SCHEMBL14734783 0.88 PDE4D (0.42) PDE4DKDM4EPRF1NR3C1PGR
SCHEMBL14734793 0.88 PDE4D (0.44) PDE4DKDM4EPRF1NR3C1PGR
SCHEMBL2583975 0.86 PDE4D (0.41) PDE4DKDM4EPRF1NR3C1PGR
SCHEMBL2589670 0.86 HSD17B1 (0.40) PDE4DKDM4E
SCHEMBL7712616 0.86 PDE4D (0.43) PDE4DPRF1PDE4APDE4BPDE4C
SCHEMBL2588881 0.85 PDE4D (0.46) PDE4DKDM4EMAPTPRF1ABCG2

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 10/4885KDM4E 1593/4885MAPT 4737/4885

“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.