SCHEMBL14737397

SCHEMBL14737397

CC[C@H](C)OC(=O)C1(COc2c(-c3cccc4c3CNC4=O)ccc(OC)c2OC)CCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.34
KDR P35968 8/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
ROCK1 Q13464 2/20 0.32
CLK4 Q9HAZ1 2/20 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

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
SCHEMBL14736995 1.00 PDE4D (0.34) PDE4DKDRCYP1A2CYP3A4CYP2C9
SCHEMBL14736445 0.97 PDE4D (0.34) PDE4DKDRCYP1A2CYP3A4CYP2C9
SCHEMBL14737839 0.97 PDE4D (0.34) PDE4DKDRCYP1A2CYP3A4CYP2C9
SCHEMBL2588162 0.92 KDR (0.33) KDRHDAC4HDAC2HDAC8ROCK1
SCHEMBL14737893 0.92 KDR (0.34) PDE4DKDRHDAC4HDAC2HDAC8
SCHEMBL14737234 0.89 KDR (0.34) KDRHDAC4HDAC2HDAC8ROCK1
SCHEMBL2592034 0.89 KDR (0.35) KDRHDAC4HDAC2HDAC8ROCK1
SCHEMBL2585180 0.89 KDR (0.38) KDRHDAC4HDAC2HDAC8ROCK1
SCHEMBL2592146 0.88 L3MBTL1 (0.38) KDRHDAC4HDAC2HDAC8ROCK1
SCHEMBL2588342 0.87 KDR (0.33) PDE4DKDRHSD17B10HDAC4HDAC2

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 7 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

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 10/4885KDR 1971/4885CYP1A2 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.