SCHEMBL2591999

SCHEMBL2591999

[2H]C([2H])Oc1c(OC)ccc(-c2cccc3c2CCC3=O)c1OCC1(C(=O)OC(C)C)CCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ABCB1 P08183 2/20 0.32
PDE4D Q08499 1/20 0.31
S1PR1 P21453 1/20 0.31
HDAC4 P56524 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
S100A4 P26447 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL14737666 0.97 ALDH1A1 (0.35) KDM4EALDH1A1HPGDABCB1S1PR1
SCHEMBL2591423 0.97 KDM4E (0.39) KDM4EALDH1A1HPGDABCB1S1PR1
SCHEMBL2591393 0.97 ALDH1A1 (0.40) KDM4EALDH1A1HPGDABCB1PDE4D
SCHEMBL2591883 0.95 KDM4E (0.39) KDM4EALDH1A1HPGDABCB1PDE4D
SCHEMBL14737346 0.95 ALDH1A1 (0.44) KDM4EALDH1A1HPGDABCB1PDE4D
SCHEMBL14737529 0.94 ALDH1A1 (0.36) KDM4EALDH1A1HPGDABCB1S1PR1
SCHEMBL2592125 0.93 KDM4E (0.39) KDM4EALDH1A1HPGDABCB1HDAC4
SCHEMBL2591568 0.93 ALDH1A1 (0.40) KDM4EALDH1A1HPGDABCB1PDE4D
SCHEMBL2591330 0.92 ALDH1A1 (0.35) KDM4EALDH1A1HPGDABCB1
SCHEMBL2588130 0.91 ALDH1A1 (0.40) KDM4EALDH1A1HPGDABCB1PDE4D

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 5 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-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 KDM4E 1593/4885ALDH1A1 824/4885HPGD 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.