SCHEMBL2592877

SCHEMBL2592877

CCC(CC)C(=O)OCCOc1c(-c2cccc3c2CCC3=O)ccc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 1/20 0.48
GAA P10253 1/20 0.40
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
S100A4 P26447 1/20 0.37
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDE4D Q08499 1/20 0.35
S1PR1 P21453 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TUBB4A P04350 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
SCHEMBL2591766 0.91 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDGAAHDAC4
SCHEMBL2591400 0.90 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDGAAHDAC4
SCHEMBL2593181 0.88 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDGAAHDAC4
SCHEMBL14737619 0.88 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDGAAHDAC4
SCHEMBL2592166 0.88 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDGAAHDAC4
SCHEMBL2588193 0.86 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDGAAHDAC4
SCHEMBL2588524 0.85 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDGAAHDAC4
SCHEMBL14737861 0.85 HDAC4 (0.37) KDM4EHDAC4HDAC2HDAC8KMT2A
SCHEMBL14736715 0.85 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDGAAHDAC4
SCHEMBL2584231 0.84 KDR (0.36) HDAC4HDAC2HDAC8NPC1RAB9A

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 ALDH1A1 824/4885KDM4E 1593/4885HPGD 1088/4885

“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.