SCHEMBL2584438

SCHEMBL2584438

CCOC(=O)COc1c(-c2cccc3c2CCC3=O)ccc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
KDM4E B2RXH2 4/20 0.51
HPGD P15428 4/20 0.51
GAA P10253 3/20 0.50
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 2/20 0.39
CYP2C19 P33261 2/20 0.39
PTPN1 P18031 1/20 0.39
CYP1A2 P05177 1/20 0.39
S1PR1 P21453 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL2588136 0.95 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDGAAMEN1
SCHEMBL2593056 0.92 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDGAAHDAC4
SCHEMBL2590015 0.90 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDGAAHDAC4
SCHEMBL14737245 0.90 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDGAAHDAC4
SCHEMBL2588319 0.89 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDGAAHDAC4
SCHEMBL2591552 0.88 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDGAAMEN1
SCHEMBL14736996 0.88 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDGAAHDAC4
SCHEMBL2591250 0.87 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDGAAHDAC4
SCHEMBL2593170 0.86 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDGAAHDAC4
SCHEMBL14737375 0.86 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDGAAMEN1

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 824/4885KDM4E 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.