SCHEMBL2594430

SCHEMBL2594430

CCCCOC(=O)COc1c(-c2cccc3c2COC3=O)ccc(OC)c1OCC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.39
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
APEX1 P27695 1/20 0.35
ELANE P08246 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
CNR2 P34972 3/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.33
FPR2 P25090 1/20 0.33
CNR1 P21554 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
SCHEMBL2591338 0.94 PDE4D (0.37) PDE4DALDH1A1TDP1KMT2APOLB
SCHEMBL14737437 0.94 PDE4D (0.40) PDE4DALDH1A1TDP1L3MBTL1KMT2A
SCHEMBL2589059 0.91 KMT2A (0.40) PDE4DALDH1A1KMT2APOLBHSD17B10
SCHEMBL17614034 0.89 ALDH1A1 (0.35) ALDH1A1TDP1L3MBTL1KMT2AHSD17B10
SCHEMBL14736700 0.89 PDE4D (0.38) PDE4DALDH1A1TDP1KMT2APOLB
SCHEMBL2592853 0.88 PDE4D (0.38) PDE4DALDH1A1KMT2AHSD17B10KDM4E
SCHEMBL14737386 0.87 PDE4D (0.39) PDE4DALDH1A1TDP1L3MBTL1KMT2A
SCHEMBL2588936 0.86 MEN1 (0.41) PDE4DALDH1A1KMT2APOLBHSD17B10
SCHEMBL2585631 0.86 PDE4D (0.38) PDE4DALDH1A1KMT2APOLBKDM4E
SCHEMBL14737375 0.86 ALDH1A1 (0.43) PDE4DALDH1A1TDP1L3MBTL1KMT2A

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 PDE4D 10/4885ALDH1A1 824/4885TDP1 49/4885

“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.