SCHEMBL2592002

SCHEMBL2592002

COc1ccc(-c2cccc3c2COC3=O)c(OCCOC(C)=O)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
PDE4D Q08499 2/20 0.39
KDM4E B2RXH2 4/20 0.38
LMNA P02545 3/20 0.38
MAOB P27338 4/20 0.38
MAPT P10636 3/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
HPGD P15428 1/20 0.34
POLB P06746 1/20 0.34
PABPC1 P11940 1/20 0.34
XBP1 P17861 1/20 0.34
NFKB1 P19838 1/20 0.34
HTT P42858 1/20 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
SCHEMBL2588121 0.90 HDAC4 (0.38) HDAC4HDAC2HDAC8PDE4DKDM4E
SCHEMBL2591755 0.90 PDE4D (0.39) HDAC4HDAC2HDAC8PDE4DKDM4E
SCHEMBL2592036 0.88 PDE4D (0.41) HDAC4HDAC2HDAC8PDE4DKDM4E
SCHEMBL2584452 0.88 HDAC4 (0.37) HDAC4HDAC2HDAC8PDE4DKDM4E
SCHEMBL14737861 0.88 HDAC4 (0.37) HDAC4HDAC2HDAC8PDE4DKDM4E
SCHEMBL14737687 0.87 PDE4D (0.41) HDAC4HDAC2HDAC8PDE4DKDM4E
SCHEMBL14737249 0.87 PDE4D (0.36) HDAC4HDAC2HDAC8PDE4DKDM4E
SCHEMBL2591325 0.87 PDE4D (0.38) HDAC4HDAC2HDAC8PDE4DKDM4E
SCHEMBL14737074 0.86 PDE4D (0.36) HDAC4HDAC2HDAC8PDE4DKDM4E
SCHEMBL2589480 0.86 PDE4D (0.39) HDAC4HDAC2HDAC8PDE4DKDM4E

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 HDAC4 105/4885HDAC2 77/4885HDAC8 388/4885

“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.