SCHEMBL2592046

SCHEMBL2592046

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.46
CNR2 P34972 2/20 0.40
CNR1 P21554 1/20 0.40
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
GAA P10253 1/20 0.37
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
ELANE P08246 2/20 0.35
KMT2A Q03164 2/20 0.34
PDE4D Q08499 1/20 0.34
HTT P42858 1/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33

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 0.94 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDCNR2CNR1
SCHEMBL2585167 0.90 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDCNR2CNR1
SCHEMBL14738202 0.88 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDCNR2CNR1
SCHEMBL14737133 0.87 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDCNR2CNR1
SCHEMBL2593051 0.86 PDE4D (0.39) KDM4ECNR2CNR1CYP1A2CYP3A4
SCHEMBL2593297 0.85 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDCNR2CNR1
SCHEMBL14737579 0.85 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDCNR2CNR1
SCHEMBL2582205 0.85 CNR1 (0.39) CNR2CNR1CYP1A2CYP3A4CYP2C9
SCHEMBL2589833 0.84 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDGAAHDAC4
SCHEMBL2593601 0.84 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDCNR2CNR1

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.