SCHEMBL2589617

SCHEMBL2589617

COc1ccc(-c2cccc3c2CCC3=O)c(OCC2CCC2)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
PDE4D Q08499 2/20 0.41
BRD4 O60885 2/20 0.40
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
S100A4 P26447 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE4B Q07343 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37

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
SCHEMBL17599573 0.95 KDM4E (0.56) KDM4EALDH1A1HPGDPDE4DBRD4
SCHEMBL7712341 0.91 KDM4E (0.56) KDM4EALDH1A1HPGDPDE4DBRD4
SCHEMBL2592351 0.88 ALDH1A1 (0.46) KDM4EALDH1A1HPGDPDE4DBRD4
SCHEMBL2584849 0.88 ALDH1A1 (0.49) KDM4EALDH1A1HPGDPDE4DBRD4
SCHEMBL2594350 0.87 KDM4E (0.48) KDM4EALDH1A1HPGDPDE4DBRD4
SCHEMBL2591692 0.86 KDM4E (0.47) KDM4EALDH1A1HPGDPDE4DBRD4
SCHEMBL2584958 0.85 KDM4E (0.46) KDM4EALDH1A1HPGDPDE4DBRD4
SCHEMBL14738022 0.85 ALDH1A1 (0.42) KDM4EALDH1A1HPGDPDE4DBRD4
SCHEMBL2588925 0.84 KDM4E (0.50) KDM4EALDH1A1HPGDPDE4DBRD4
SCHEMBL14737188 0.84 ALDH1A1 (0.42) KDM4EALDH1A1HPGDPDE4DBRD4

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 16 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 claimed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US claimed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 US claimed
EP-2563770-A1 BIARYL PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2013-03-06 EP claimed
WO-2011134468-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2011-11-03 WO claimed
EP-2563770-B1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2016-03-23 EP disclosed
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
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.