SCHEMBL2585631

SCHEMBL2585631

CCOc1c(OC)ccc(-c2cccc3c2COC3=O)c1OCC(=O)OCC1CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.38
KCNJ1 P48048 3/20 0.34
ALDH1A1 P00352 4/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KCNH2 Q12809 2/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 3/20 0.33
KDM4E B2RXH2 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
USP2 O75604 1/20 0.33
FPR2 P25090 4/20 0.33
ATM Q13315 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33

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
SCHEMBL2591761 0.96 PDE4D (0.37) PDE4DKCNJ1ALDH1A1GAAMEN1
SCHEMBL2585272 0.94 PDE4D (0.40) PDE4DKCNJ1MEN1KMT2AKCNH2
SCHEMBL2589059 0.91 KMT2A (0.40) PDE4DALDH1A1GAAMEN1KMT2A
SCHEMBL14736982 0.90 PDE4D (0.39) PDE4DKCNJ1ALDH1A1MEN1KMT2A
SCHEMBL2591338 0.88 PDE4D (0.37) PDE4DALDH1A1MEN1KMT2APOLB
SCHEMBL2592853 0.88 PDE4D (0.38) PDE4DKCNJ1ALDH1A1MEN1KMT2A
SCHEMBL2593218 0.86 PDE4D (0.39) PDE4DKCNJ1ALDH1A1MEN1KMT2A
SCHEMBL14737386 0.86 PDE4D (0.39) PDE4DKCNJ1ALDH1A1MEN1KMT2A
SCHEMBL14750940 0.86 PDE4D (0.39) PDE4DKCNJ1ALDH1A1MEN1KMT2A
SCHEMBL2594430 0.86 PDE4D (0.39) PDE4DALDH1A1GAAMEN1KMT2A

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 PDE4D 10/4885KCNJ1 2835/4885ALDH1A1 824/4885

“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.