SCHEMBL14736848

SCHEMBL14736848

COc1ccc(-c2cccc3c2COC3=O)c(OCC(C)(C)C(=O)OC(C)(C)C#N)c1OC

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 12/20 0.34
PDE4D Q08499 2/20 0.34
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
KCNH2 Q12809 6/20 0.33
MAOB P27338 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL2583928 0.88 HDAC4 (0.38) KCNJ1PDE4DHDAC4HDAC2HDAC8
SCHEMBL2592995 0.86 ALDH1A1 (0.44) PDE4DHDAC4HDAC2HDAC8KDM4E
SCHEMBL14737389 0.85 PDE4D (0.36) KCNJ1PDE4DHDAC4HDAC2HDAC8
SCHEMBL2591292 0.85 PDE4D (0.36) PDE4DHDAC4HDAC2HDAC8MAOB
SCHEMBL14736954 0.85 KDR (0.34) HDAC4HDAC2HDAC8
SCHEMBL17599631 0.85 HDAC4 (0.39) PDE4DHDAC4HDAC2HDAC8MAOB
SCHEMBL2591920 0.84 PDE4D (0.37) KCNJ1PDE4DHDAC4HDAC2HDAC8
SCHEMBL2592795 0.84 PDE4D (0.41) KCNJ1PDE4DKCNH2
SCHEMBL2588279 0.84 PDE4D (0.36) PDE4DHDAC4HDAC2HDAC8MAOB
SCHEMBL2595271 0.83 PDE4D (0.35) KCNJ1PDE4DHDAC4HDAC2HDAC8

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 KCNJ1 2835/4885PDE4D 10/4885HDAC4 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.