SCHEMBL2592822

SCHEMBL2592822

CCCCCC(=O)OC1(COc2c(-c3cccc4c3CNC4=O)ccc(OC)c2OC)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLM Q9NP87 2/20 0.35
POLK Q9UBT6 2/20 0.35
POLL Q9UGP5 2/20 0.35
POLH Q9Y253 2/20 0.35
KDR P35968 7/20 0.33
RET P07949 2/20 0.33
CNR2 P34972 2/20 0.33
CNR1 P21554 1/20 0.33
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
PLK4 O00444 1/20 0.32
AURKA O14965 1/20 0.32
ROCK2 O75116 1/20 0.32
MAP4K4 O95819 1/20 0.32
ABL1 P00519 1/20 0.32
NTRK1 P04629 1/20 0.32
LCK P06239 1/20 0.32
CDK1 P06493 1/20 0.32
CSF1R P07333 1/20 0.32

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
SCHEMBL14734761 0.97 KDR (0.33) POLMPOLKPOLLPOLHKDR
SCHEMBL2593213 0.94 KDR (0.34) KDRRETHDAC4HDAC2HDAC8
SCHEMBL14734796 0.90 KDR (0.35) KDRRETHDAC4HDAC2HDAC8
SCHEMBL2595376 0.88 KDR (0.33) KDRRETHDAC4HDAC2HDAC8
SCHEMBL2593001 0.87 KDR (0.36) KDRRETHDAC4HDAC2HDAC8
SCHEMBL2591897 0.86 ALDH1A1 (0.42) POLMPOLKPOLLPOLHCNR2
SCHEMBL14734719 0.86 KDR (0.34) KDRRETHDAC4HDAC2HDAC8
SCHEMBL14737082 0.86 KDR (0.34) KDRRETHDAC4HDAC2HDAC8
SCHEMBL2592991 0.85 PDE4D (0.35) POLMPOLKPOLLPOLHCNR2
SCHEMBL2591463 0.85 KDR (0.35) KDRRETHDAC4HDAC2HDAC8

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 POLM 2558/4885POLK 1600/4885POLL 1724/4885

“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.