SCHEMBL2586053

SCHEMBL2586053

COc1ccc(-c2cccc3c2CCC3=O)c(OCC(C)(C)OC(=O)C2CCOCC2)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
PDE4D Q08499 1/20 0.35
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP19A1 P11511 1/20 0.32
ACHE P22303 1/20 0.31
BRAF P15056 1/20 0.31
S1PR1 P21453 1/20 0.31
GSK3B P49841 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
TUBB4A P04350 1/20 0.31

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
SCHEMBL2595315 0.94 ALDH1A1 (0.46) KDM4EALDH1A1HPGDPDE4DHDAC4
SCHEMBL2591678 0.92 ALDH1A1 (0.44) KDM4EALDH1A1HPGDPDE4DHDAC4
SCHEMBL14734785 0.92 ALDH1A1 (0.44) KDM4EALDH1A1HPGDPDE4DHDAC4
SCHEMBL14737342 0.92 ALDH1A1 (0.44) KDM4EALDH1A1HPGDPDE4DHDAC4
SCHEMBL14750376 0.88 PDE4D (0.37) KDM4EPDE4DHDAC4HDAC2HDAC8
SCHEMBL14737629 0.86 GSK3B (0.33) KDM4EALDH1A1HDAC4HDAC2HDAC8
SCHEMBL2592149 0.85 ALDH1A1 (0.50) KDM4EALDH1A1HPGDPDE4DHDAC4
SCHEMBL2591504 0.85 ALDH1A1 (0.44) KDM4EALDH1A1HPGDPDE4DHDAC4
SCHEMBL14737607 0.84 HSD17B1 (0.37) KDM4EALDH1A1HPGDPDE4DMEN1
SCHEMBL2591779 0.83 ALDH1A1 (0.42) KDM4EALDH1A1HPGDPDE4DHDAC4

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 KDM4E 1593/4885ALDH1A1 824/4885HPGD 1088/4885

“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.