SCHEMBL2591942

SCHEMBL2591942

COc1ccc(-c2cccc3c2COC3=O)c(OC2(C(=O)OC(C)C)CC2)c1OC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 12/20 0.43
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAOB P27338 2/20 0.36
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL14737436 0.91 PDE4D (0.46) PDE4DKDM4ELMNAHDAC4HDAC2
SCHEMBL14737718 0.90 KDM4E (0.41) PDE4DKDM4ELMNAHDAC4HDAC2
SCHEMBL2584132 0.88 PDE4D (0.44) PDE4DKDM4ELMNAHDAC4HDAC2
SCHEMBL14734712 0.87 KDM4E (0.44) PDE4DKDM4ELMNAHDAC4HDAC2
SCHEMBL2588133 0.86 PDE4D (0.42) PDE4DKDM4ELMNAHDAC4HDAC2
SCHEMBL14737337 0.85 PDE4D (0.46) PDE4DKDM4ELMNAHDAC4HDAC2
SCHEMBL2593102 0.85 PDE4D (0.46) PDE4DKDM4ELMNAHDAC4HDAC2
SCHEMBL2583614 0.85 ALDH1A1 (0.48) PDE4DKDM4EHDAC4HDAC2HDAC8
SCHEMBL14736730 0.85 PDE4D (0.44) PDE4DKDM4ELMNAHDAC4HDAC2
SCHEMBL2588963 0.84 PDE4D (0.40) PDE4DKDM4ELMNAHDAC4HDAC2

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 10/4885KDM4E 1593/4885LMNA 2433/4885

“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.