SCHEMBL2589147

SCHEMBL2589147

[2H]C([2H])Oc1c(OC)ccc(-c2cccc3c2CCC3=O)c1OCC1(C(=O)OC)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
PDE4D Q08499 1/20 0.33
S1PR1 P21453 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
MAPT P10636 2/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
S100A4 P26447 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 2/20 0.32
BRAF P15056 1/20 0.32
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31

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
SCHEMBL14737044 0.98 ALDH1A1 (0.40) KDM4EALDH1A1HPGDPDE4DS1PR1
SCHEMBL2591586 0.96 ALDH1A1 (0.41) KDM4EALDH1A1HPGDPDE4DS1PR1
SCHEMBL2593286 0.96 ALDH1A1 (0.43) KDM4EALDH1A1HPGDPDE4DS1PR1
SCHEMBL14736986 0.94 ALDH1A1 (0.39) KDM4EALDH1A1HPGDPDE4DS1PR1
SCHEMBL2588156 0.94 KDM4E (0.43) KDM4EALDH1A1HPGDPDE4DS1PR1
SCHEMBL14738961 0.94 KDM4E (0.49) KDM4EALDH1A1HPGDPDE4DS1PR1
SCHEMBL2591451 0.93 ALDH1A1 (0.41) KDM4EALDH1A1HPGDPDE4DS1PR1
SCHEMBL2586035 0.93 ALDH1A1 (0.43) KDM4EALDH1A1HPGDPDE4DS1PR1
SCHEMBL14736972 0.93 ALDH1A1 (0.40) KDM4EALDH1A1HPGDPDE4DS1PR1
SCHEMBL2583596 0.92 ALDH1A1 (0.41) KDM4EALDH1A1HPGDPDE4DS1PR1

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.