SCHEMBL2591079

SCHEMBL2591079

CCCCOC(=O)COc1c(-c2ccc3c(c2)COC3=O)ccc(OC)c1OCC

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 10/20 0.50
PRF1 P14222 3/20 0.44
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ABCG2 Q9UNQ0 4/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
IMPDH2 P12268 1/20 0.38
KMT2A Q03164 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
SCHEMBL2591130 0.95 PDE4D (0.51) PDE4DPRF1ALDH1A1TDP1L3MBTL1
SCHEMBL2589066 0.95 PDE4D (0.49) PDE4DPRF1ABCG2PDE4APDE4B
SCHEMBL14734753 0.92 PRF1 (0.50) PDE4DPRF1ALDH1A1ABCG2PDE4A
SCHEMBL2591422 0.89 PDE4D (0.50) PDE4DPRF1ABCG2PDE4APDE4B
SCHEMBL2593619 0.89 PRF1 (0.46) PDE4DPRF1ABCG2GAAMAPT
SCHEMBL2590601 0.88 PDE4D (0.49) PDE4DPRF1ABCG2PDE4APDE4B
SCHEMBL2587910 0.87 PDE4D (0.49) PDE4DPRF1ALDH1A1ABCG2PDE4A
SCHEMBL2588346 0.87 PRF1 (0.44) PDE4DPRF1ABCG2PDE4APDE4B
SCHEMBL2591136 0.86 BRD4 (0.43) PDE4DALDH1A1TDP1L3MBTL1KMT2A
SCHEMBL2589607 0.85 PDE4D (0.47) PDE4DPRF1ABCG2PDE4APDE4B

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 3550/4885ALDH1A1 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.