SCHEMBL14734811

SCHEMBL14734811

COc1ccc(-c2cccc3c2CCC3=O)c(OCC(C)(C)C(=O)O[C@H]2CCOC2)c1OC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
PDE4D Q08499 13/20 0.35
PDE4A P27815 6/20 0.35
PDE4B Q07343 6/20 0.35
PDE4C Q08493 6/20 0.35
IMPDH2 P12268 2/20 0.34
IMPDH1 P20839 1/20 0.34
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
TYK2 P29597 2/20 0.32
JAK3 P52333 2/20 0.32
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 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
SCHEMBL14734780 1.00 KDM4E (0.40) KDM4EALDH1A1HPGDPDE4DPDE4A
SCHEMBL2591914 0.95 KDM4E (0.42) KDM4EALDH1A1HPGDPDE4DPDE4A
SCHEMBL14736573 0.90 KDM4E (0.45) KDM4EALDH1A1HPGDPDE4DHDAC4
SCHEMBL2592999 0.90 KDM4E (0.45) KDM4EALDH1A1HPGDPDE4DHDAC4
SCHEMBL14736937 0.90 KDM4E (0.45) KDM4EALDH1A1HPGDPDE4DHDAC4
SCHEMBL14736576 0.90 KDM4E (0.45) KDM4EALDH1A1HPGDPDE4DHDAC4
SCHEMBL14735906 0.88 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CIMPDH2
SCHEMBL14734818 0.88 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CIMPDH2
SCHEMBL14737859 0.87 PDE4D (0.35) PDE4DPDE4APDE4BPDE4CIMPDH2
SCHEMBL14734702 0.87 PDE4D (0.35) PDE4DPDE4APDE4BPDE4CIMPDH2

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 8 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

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.