SCHEMBL2581805

SCHEMBL2581805

COc1ccc(-c2ccc3c(c2)COC3=O)c(OCC(=O)OC2CCCC2)c1OC

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 12/20 0.51
ABCG2 Q9UNQ0 3/20 0.42
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
PRF1 P14222 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
IMPDH2 P12268 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL2592566 0.98 PDE4D (0.51) PDE4DABCG2MAPTHTTPRF1
SCHEMBL2586074 0.94 PDE4D (0.49) PDE4DABCG2MAPTHTTPRF1
SCHEMBL2583938 0.92 PDE4D (0.49) PDE4DABCG2MAPTPRF1
SCHEMBL2593090 0.88 ABCG2 (0.48) PDE4DABCG2MAPTPRF1IMPDH2
SCHEMBL2585852 0.86 PDE4D (0.43) PDE4DABCG2PRF1IMPDH2
SCHEMBL2591371 0.86 PDE4D (0.43) PDE4DABCG2PRF1IMPDH2KDM4E
SCHEMBL2592030 0.85 PDE4D (0.48) PDE4DABCG2PRF1
SCHEMBL2587910 0.85 PDE4D (0.49) PDE4DABCG2MAPTPRF1ALDH1A1
SCHEMBL2584948 0.85 PDE4D (0.49) PDE4DABCG2MAPTHTTPRF1
SCHEMBL2593094 0.85 PDE4D (0.49) PDE4DABCG2MAPTHTTPRF1

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 10/4885ABCG2 1085/4885MAPT 4737/4885

“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.