SCHEMBL14736993

SCHEMBL14736993

CCC(C)OC(=O)C(C)(C)Oc1c(-c2cccc3c2COC3=O)ccc(OC)c1OC

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 5/20 0.39
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
MAOB P27338 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KCNJ1 P48048 1/20 0.32
KCNH2 Q12809 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 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
SCHEMBL2591238 0.91 HDAC4 (0.37) PDE4DHDAC4HDAC2HDAC8MAOB
SCHEMBL2591368 0.88 HDAC4 (0.38) PDE4DHDAC4HDAC2HDAC8MAOB
SCHEMBL14736958 0.87 PDE4D (0.38) PDE4DHDAC4HDAC2HDAC8MAOB
SCHEMBL14736746 0.87 PDE4D (0.38) PDE4DHDAC4HDAC2HDAC8MAOB
SCHEMBL2585343 0.87 PDE4D (0.40) PDE4DHDAC4HDAC2HDAC8MAOB
SCHEMBL2584145 0.86 HDAC4 (0.40) PDE4DHDAC4HDAC2HDAC8MAOB
SCHEMBL2593601 0.86 ALDH1A1 (0.46) PDE4DHDAC4HDAC2HDAC8KDM4E
SCHEMBL2591506 0.86 PDE4D (0.38) PDE4DHDAC4HDAC2HDAC8MAOB
SCHEMBL2591355 0.84 KDR (0.35) HDAC4HDAC2HDAC8CNR1CNR2
SCHEMBL2593051 0.84 PDE4D (0.39) 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 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 10/4885HDAC4 105/4885HDAC2 77/4885

“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.