SCHEMBL2590899

SCHEMBL2590899

COc1ccc(-c2cccc3c2CCC3=O)c(OC2(C(=O)OC3CCCC3)CC2)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
TP53 P04637 1/20 0.41
PDE4D Q08499 6/20 0.38
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
PDE4A P27815 3/20 0.35
HTT P42858 1/20 0.35
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
BRAF P15056 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL2588141 0.98 KDM4E (0.47) KDM4EALDH1A1HPGDTP53PDE4D
SCHEMBL2581410 0.91 KDM4E (0.52) KDM4EALDH1A1HPGDPDE4DHDAC4
SCHEMBL17613992 0.88 ALDH1A1 (0.37) KDM4EALDH1A1HPGDTP53PDE4D
SCHEMBL2581888 0.88 KDM4E (0.43) KDM4EALDH1A1HPGDTP53PDE4D
SCHEMBL14737092 0.88 KDM4E (0.43) KDM4EALDH1A1HPGDTP53PDE4D
SCHEMBL2584453 0.88 KDM4E (0.43) KDM4EALDH1A1HPGDTP53PDE4D
SCHEMBL14736383 0.87 KDM4E (0.44) KDM4EALDH1A1HPGDTP53PDE4D
SCHEMBL2591919 0.87 KDM4E (0.44) KDM4EALDH1A1HPGDTP53PDE4D
SCHEMBL2589541 0.87 KDM4E (0.44) KDM4EALDH1A1HPGDTP53PDE4D
SCHEMBL2589181 0.86 ALDH1A1 (0.43) KDM4EALDH1A1HPGDPDE4DHDAC4

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 KDM4E 1593/4885ALDH1A1 824/4885HPGD 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.