SCHEMBL2589181

SCHEMBL2589181

COc1ccc(-c2cccc3c2CCC3=O)c(OC2(C(=O)OCC3CCC3)CC2)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
PDE4D Q08499 1/20 0.35
PDE1C Q14123 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
PDE4B Q07343 1/20 0.32
USP19 O94966 1/20 0.32
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 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
SCHEMBL2592993 0.96 KDM4E (0.45) ALDH1A1KDM4EHPGDPDE4DPDE1C
SCHEMBL2588141 0.88 KDM4E (0.47) ALDH1A1KDM4EHPGDPDE4DMEN1
SCHEMBL2593091 0.87 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDPDE4DPDE1C
SCHEMBL2591710 0.87 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDPDE4DMEN1
SCHEMBL2588645 0.87 PDE4D (0.37) KDM4EHPGDPDE4DPDE1CMEN1
SCHEMBL2590899 0.86 KDM4E (0.47) ALDH1A1KDM4EHPGDPDE4DMEN1
SCHEMBL14737188 0.86 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDPDE4DPDE1C
SCHEMBL2594049 0.86 PDE1C (0.34) ALDH1A1KDM4EPDE1CMEN1KMT2A
SCHEMBL2591917 0.85 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDPDE4DMEN1
SCHEMBL2581410 0.85 KDM4E (0.52) ALDH1A1KDM4EHPGDPDE4DMEN1

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 ALDH1A1 824/4885KDM4E 1593/4885HPGD 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.