SCHEMBL2591044

SCHEMBL2591044

CCCCOC(=O)COc1c(-c2ccc3c(c2)CNC3=O)ccc(OC)c1OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 2/20 0.37
MAPKAPK2 P49137 1/20 0.37
POLQ O75417 1/20 0.36
TDP2 O95551 1/20 0.36
PRF1 P14222 1/20 0.36
CNR2 P34972 1/20 0.36
GSK3B P49841 2/20 0.35
DAPK3 O43293 1/20 0.35
NTRK1 P04629 1/20 0.35
PIM1 P11309 1/20 0.35
FLT3 P36888 1/20 0.35
ROCK1 Q13464 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
PDE4D Q08499 1/20 0.35
PRKCI P41743 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA2B P29275 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
SCHEMBL14737826 0.95 ALDH1A1 (0.41) ALDH1A1TDP1L3MBTL1KMT2AMAPKAPK2
SCHEMBL14734708 0.95 POLQ (0.37) ALDH1A1KMT2AMAPKAPK2POLQTDP2
SCHEMBL2588425 0.92 POLQ (0.40) ALDH1A1L3MBTL1KMT2AMAPKAPK2POLQ
SCHEMBL2591177 0.89 POLQ (0.38) KMT2AMAPKAPK2POLQTDP2PRF1
SCHEMBL2592541 0.89 POLQ (0.41) MAPKAPK2POLQTDP2PRF1GSK3B
SCHEMBL2588921 0.88 POLQ (0.36) ALDH1A1TDP1L3MBTL1MAPKAPK2POLQ
SCHEMBL2592916 0.87 POLQ (0.41) ALDH1A1L3MBTL1MAPKAPK2POLQTDP2
SCHEMBL14734758 0.87 POLQ (0.39) ALDH1A1MAPKAPK2POLQTDP2PRF1
SCHEMBL2591136 0.86 BRD4 (0.43) ALDH1A1TDP1L3MBTL1KMT2ACNR2
SCHEMBL2583786 0.85 POLQ (0.37) ALDH1A1KMT2AMAPKAPK2POLQTDP2

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 824/4885TDP1 49/4885L3MBTL1 1456/4885

“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.