SCHEMBL2584948

SCHEMBL2584948

COc1ccc(-c2ccc3c(c2)COC3=O)c(OCC(C)(C)C(=O)OC2CCCCCC2)c1OC

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 14/20 0.49
PRF1 P14222 2/20 0.39
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
ABCG2 Q9UNQ0 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
SCHEMBL2593094 1.00 PDE4D (0.49) PDE4DPRF1NR3C1PGRALDH1A1
SCHEMBL2592030 0.99 PDE4D (0.48) PDE4DPRF1NR3C1PGRABCG2
SCHEMBL2592958 0.97 PDE4D (0.48) PDE4DPRF1NR3C1PGRABCG2
SCHEMBL2592163 0.93 PDE4D (0.49) PDE4DPRF1NR3C1PGRABCG2
SCHEMBL2595813 0.90 PDE4D (0.50) PDE4DPRF1ABCG2
SCHEMBL14737030 0.90 PDE4D (0.50) PDE4DPRF1ABCG2
SCHEMBL14734828 0.90 PDE4D (0.50) PDE4DPRF1ABCG2
SCHEMBL2588510 0.88 PDE4D (0.44) PDE4DPRF1NR3C1PGRMAPT
SCHEMBL14737350 0.87 PDE4D (0.49) PDE4DPRF1NR3C1PGR
SCHEMBL2587999 0.87 HSD17B1 (0.41) PDE4DALDH1A1MAPTHTT

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 10/4885PRF1 3550/4885NR3C1 1334/4885

“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.