SCHEMBL2593971

SCHEMBL2593971

CCOc1c(OC)ccc(-c2cccc3c2CCC3=O)c1OCC(=O)OC1CCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.39
PDE4D Q08499 1/20 0.37
S1PR1 P21453 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
S100A4 P26447 1/20 0.35
ABCB1 P08183 2/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
MIF P14174 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 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
SCHEMBL2592059 0.98 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EGAAPDE4D
SCHEMBL2588206 0.93 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EGAAPDE4D
SCHEMBL2592814 0.91 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EGAAPDE4D
SCHEMBL2591250 0.88 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EGAAPDE4D
SCHEMBL2581840 0.88 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EGAAPDE4D
SCHEMBL17613941 0.88 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EGAAPDE4D
SCHEMBL2588136 0.87 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EGAAS1PR1
SCHEMBL2592452 0.86 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EGAAPDE4D
SCHEMBL14750940 0.86 PDE4D (0.39) ALDH1A1HPGDPDE4DMEN1KMT2A
SCHEMBL2591016 0.85 KDR (0.36) PDE4DMEN1KMT2ARAB9ATP53

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.