SCHEMBL2582205

SCHEMBL2582205

CCCCOC(=O)C(C)(C)Oc1c(-c2cccc3c2CNC3=O)ccc(OC)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDR P35968 9/20 0.35
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
ELANE P08246 1/20 0.34
PLK4 O00444 2/20 0.34
ROCK2 O75116 2/20 0.34
NTRK1 P04629 2/20 0.34
MET P08581 2/20 0.34
ROS1 P08922 2/20 0.34
RPS6KB1 P23443 2/20 0.34

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
SCHEMBL2593137 0.94 KDR (0.36) CNR1CNR2KDRHDAC4HDAC2
SCHEMBL2588605 0.91 KDR (0.38) CNR1CNR2CYP1A2CYP3A4KDR
SCHEMBL2589680 0.87 KDR (0.41) KDRHDAC4HDAC2HDAC8PLK4
SCHEMBL14737628 0.86 KDR (0.38) KDRHDAC4HDAC2HDAC8PLK4
SCHEMBL14737004 0.86 KDR (0.36) KDRHDAC4HDAC2HDAC8PLK4
SCHEMBL2592046 0.85 ALDH1A1 (0.46) CNR1CNR2CYP1A2CYP3A4CYP2C9
SCHEMBL2591355 0.84 KDR (0.35) CNR1CNR2CYP1A2CYP3A4CYP2C9
SCHEMBL2592846 0.84 PIK3CD (0.35) KDRHDAC4HDAC2HDAC8KMT2A
SCHEMBL2593120 0.84 ALDH1A1 (0.39) CNR2CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL2593051 0.84 PDE4D (0.39) CNR1CNR2CYP1A2CYP3A4CYP2C9

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 CNR1 2293/4885CNR2 2470/4885CYP1A2 167/4885

“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.