SCHEMBL2591335

SCHEMBL2591335

CNC(=O)c1ccc(COc2c(-c3cccc4c3CCC4=O)ccc(OC)c2OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
MAPT P10636 2/20 0.41
MRGPRX4 Q96LA9 3/20 0.39
NPC1 O15118 2/20 0.39
CASP3 P42574 2/20 0.39
RAB9A P51151 2/20 0.39
SENP7 Q9BQF6 2/20 0.39
PDE4D Q08499 1/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC6 Q9UBN7 4/20 0.39
HDAC3 O15379 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
HDAC4 P56524 1/20 0.39

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
SCHEMBL14737152 0.88 ALDH1A1 (0.48) KDM4EALDH1A1HPGDMAPTMRGPRX4
SCHEMBL2591657 0.86 ALDH1A1 (0.46) KDM4EALDH1A1HPGDMAPTMRGPRX4
SCHEMBL14737290 0.86 ALDH1A1 (0.40) KDM4EALDH1A1MAPTMRGPRX4NPC1
SCHEMBL2589751 0.83 HSD17B1 (0.41) KDM4EALDH1A1HPGDMAPTPDE4D
SCHEMBL2592764 0.82 ALDH1A1 (0.47) KDM4EALDH1A1HPGDMRGPRX4NPC1
SCHEMBL2583872 0.81 KDM4E (0.49) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL2591462 0.80 KDM4E (0.48) KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL14734816 0.80 ALDH1A1 (0.58) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL2588509 0.80 ALDH1A1 (0.46) KDM4EALDH1A1HPGDMAPTMRGPRX4
SCHEMBL2593760 0.80 KDM4E (0.38) KDM4EALDH1A1HPGDMAPTMRGPRX4

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 14 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 claimed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US claimed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 US claimed
EP-2563770-A1 BIARYL PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2013-03-06 EP claimed
WO-2011134468-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2011-11-03 WO claimed
EP-2563770-B1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2016-03-23 EP disclosed
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-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
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.