SCHEMBL14736866

SCHEMBL14736866

COc1ccc(-c2cccc3c2COC3=O)c(OCC(C)(C)CC(C)CC(=O)O)c1OC

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.36
IMPDH2 P12268 2/20 0.35
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
MAOB P27338 2/20 0.33
KDM4E B2RXH2 4/20 0.33
HPGD P15428 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
CTSA P10619 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MIF P14174 1/20 0.32
HSD17B10 Q99714 2/20 0.32
AAK1 Q2M2I8 2/20 0.32
TNF P01375 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL14736988 0.87 PDE4D (0.39) PDE4DHDAC4HDAC2HDAC8MAOB
SCHEMBL14736890 0.85 FFAR4 (0.36) PDE4DIMPDH2HDAC4HDAC2HDAC8
SCHEMBL14737492 0.84 PDE4D (0.38) PDE4DHDAC4HDAC2HDAC8MAOB
SCHEMBL14736889 0.84 PDE4D (0.40) PDE4DHDAC4HDAC2HDAC8MAOB
SCHEMBL14737870 0.84 PDE4D (0.36) PDE4DHDAC4HDAC2HDAC8MAOB
SCHEMBL14737812 0.84 IMPDH2 (0.35) PDE4DIMPDH2HDAC4HDAC2HDAC8
SCHEMBL14737052 0.84 FFAR4 (0.39) PDE4DIMPDH2HDAC4HDAC2HDAC8
SCHEMBL17599631 0.83 HDAC4 (0.39) PDE4DHDAC4HDAC2HDAC8MAOB
SCHEMBL14737707 0.83 IMPDH1 (0.39) PDE4DHDAC4HDAC2HDAC8MAOB
SCHEMBL14736863 0.83 PDE4D (0.37) PDE4DHDAC4HDAC2HDAC8MAOB

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 2 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-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 10/4885IMPDH2 402/4885HDAC4 105/4885

“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.