SCHEMBL2592452

SCHEMBL2592452

CCOc1c(OC)ccc(-c2cccc3c2CCC3=O)c1OCC(=O)OCC1CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
HPGD P15428 4/20 0.42
KDM4E B2RXH2 3/20 0.42
GAA P10253 3/20 0.40
PDE4D Q08499 2/20 0.36
S1PR1 P21453 1/20 0.36
USP2 O75604 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
S100A4 P26447 1/20 0.34
PTGDR2 Q9Y5Y4 4/20 0.34
NPSR1 Q6W5P4 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
PDE4B Q07343 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL2581840 0.96 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EGAAPDE4D
SCHEMBL14736996 0.93 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EGAAPDE4D
SCHEMBL2588136 0.90 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EGAAS1PR1
SCHEMBL2592351 0.90 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EGAAPDE4D
SCHEMBL2584849 0.88 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EGAAPDE4D
SCHEMBL2591552 0.88 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EGAAPDE4D
SCHEMBL2591250 0.87 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EGAAPDE4D
SCHEMBL2585631 0.86 PDE4D (0.38) ALDH1A1HPGDKDM4EGAAPDE4D
SCHEMBL14737375 0.86 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EGAAPDE4D
SCHEMBL2594259 0.86 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EGAAPDE4D

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 824/4885HPGD 1088/4885KDM4E 1593/4885

“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.