SCHEMBL2585167

SCHEMBL2585167

CCOC(=O)C(C)(C)Oc1c(-c2cccc3c2CCC3=O)ccc(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 1/20 0.50
GAA P10253 2/20 0.44
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
PPARA Q07869 2/20 0.37
ABCB11 O95342 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
HTR2A P28223 1/20 0.37
PMP22 Q01453 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
PDE4D Q08499 1/20 0.36
S1PR1 P21453 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 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
SCHEMBL2589039 0.92 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDGAAHDAC4
SCHEMBL14737133 0.90 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDGAAHDAC4
SCHEMBL2592046 0.90 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDGAAHDAC4
SCHEMBL2593297 0.89 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDGAAHDAC4
SCHEMBL14737579 0.89 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDGAAHDAC4
SCHEMBL2589833 0.87 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDGAAHDAC4
SCHEMBL2593601 0.87 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDGAAHDAC4
SCHEMBL14737779 0.87 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDGAAHDAC4
SCHEMBL2591600 0.87 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDGAAHDAC4
SCHEMBL2591368 0.84 HDAC4 (0.38) KDM4EGAAHDAC4HDAC2HDAC8

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 ALDH1A1 824/4885KDM4E 1593/4885HPGD 1088/4885

“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.