SCHEMBL2593091

SCHEMBL2593091

COc1ccc(-c2cccc3c2CCC3=O)c(OCC2(C(=O)OCC3CCC3)CCC2)c1OC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
PDE1C Q14123 4/20 0.35
PDE4D Q08499 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE4B Q07343 1/20 0.33
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
GAA P10253 2/20 0.32
BRD4 O60885 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TP53 P04637 1/20 0.31
PARP15 Q460N3 1/20 0.31
PARP10 Q53GL7 1/20 0.31
USP19 O94966 1/20 0.30

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
SCHEMBL14737188 0.97 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDPDE1CPDE4D
SCHEMBL14738034 0.89 KDM4E (0.43) ALDH1A1KDM4EHPGDPDE4DMEN1
SCHEMBL14737665 0.89 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL14737774 0.88 KDM4E (0.47) ALDH1A1KDM4EHPGDPDE4DMEN1
SCHEMBL14737233 0.87 PDE4D (0.36) KDM4EPDE1CPDE4DMEN1KMT2A
SCHEMBL14737827 0.87 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDPDE4DMEN1
SCHEMBL14737092 0.87 KDM4E (0.43) ALDH1A1KDM4EHPGDPDE4DHDAC4
SCHEMBL2584453 0.87 KDM4E (0.43) ALDH1A1KDM4EHPGDPDE4DHDAC4
SCHEMBL2589181 0.87 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDPDE1CPDE4D
SCHEMBL2581888 0.87 KDM4E (0.43) ALDH1A1KDM4EHPGDPDE4DHDAC4

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.