SCHEMBL2591365

SCHEMBL2591365

COc1ccc(-c2ccc3c(c2)COC3=O)c(OCC(C)(C)OC(=O)C2CCCCC2)c1OC

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 14/20 0.43
ALDH1A1 P00352 1/20 0.41
PRF1 P14222 2/20 0.39
ABCG2 Q9UNQ0 2/20 0.36
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36

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
SCHEMBL14737501 0.99 PDE4D (0.42) PDE4DALDH1A1PRF1ABCG2NR3C1
SCHEMBL2591414 0.97 PDE4D (0.42) PDE4DALDH1A1PRF1ABCG2NR3C1
SCHEMBL2590932 0.96 PDE4D (0.42) PDE4DPRF1ABCG2NR3C1PGR
SCHEMBL14737097 0.92 PDE4D (0.42) PDE4DPRF1ABCG2NR3C1PGR
SCHEMBL14734793 0.88 PDE4D (0.44) PDE4DPRF1ABCG2NR3C1PGR
SCHEMBL2592023 0.87 PDE4D (0.41) PDE4DPRF1ABCG2NR3C1PGR
SCHEMBL14734782 0.87 HSD17B1 (0.41) PDE4DALDH1A1
SCHEMBL2591441 0.87 HSD17B1 (0.41) PDE4DALDH1A1
SCHEMBL14737795 0.85 HSD17B1 (0.41) PDE4DALDH1A1
SCHEMBL2592935 0.85 PDE4D (0.45) PDE4DALDH1A1PRF1ABCG2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 10/4885ALDH1A1 824/4885PRF1 3550/4885

“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.