SCHEMBL2593403

SCHEMBL2593403

[2H]C([2H])([2H])Oc1ccc(-c2cccc3c2CCC3=O)c(OCC2(C(=O)OCC)CC2)c1OC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 7/20 0.34
KMT2A Q03164 7/20 0.34
S1PR1 P21453 1/20 0.34
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
POLB P06746 2/20 0.32
PDE4D Q08499 2/20 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
SCHEMBL14736256 0.97 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDGAAL3MBTL1
SCHEMBL2592531 0.96 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDGAAL3MBTL1
SCHEMBL2585215 0.96 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDGAAL3MBTL1
SCHEMBL2591309 0.95 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDGAAL3MBTL1
SCHEMBL14737121 0.94 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDGAAL3MBTL1
SCHEMBL2591571 0.94 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDGAAL3MBTL1
SCHEMBL2588055 0.93 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDGAAL3MBTL1
SCHEMBL2583596 0.93 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDGAAL3MBTL1
SCHEMBL14737118 0.92 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDGAAL3MBTL1
SCHEMBL2586035 0.92 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDGAAL3MBTL1

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 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.