SCHEMBL2591678

SCHEMBL2591678

COc1ccc(-c2cccc3c2CCC3=O)c(OCC(C)(C)OC(=O)C2CCCC2)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
PDE4D Q08499 1/20 0.36
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
TSHR P16473 2/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ACHE P22303 1/20 0.33
TP53 P04637 1/20 0.33
BRAF P15056 1/20 0.33
PARP1 P09874 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
HTR1A P08908 1/20 0.32

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
SCHEMBL14737342 1.00 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDPDE4DHDAC4
SCHEMBL14734785 0.98 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDPDE4DHDAC4
SCHEMBL2595315 0.96 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDPDE4DHDAC4
SCHEMBL2586053 0.92 KDM4E (0.42) ALDH1A1KDM4EHPGDPDE4DHDAC4
SCHEMBL2592149 0.88 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDPDE4DHDAC4
SCHEMBL14737140 0.88 PDE4D (0.37) ALDH1A1KDM4EPDE4DHDAC4HDAC2
SCHEMBL14734776 0.88 HPGD (0.42) ALDH1A1KDM4EHPGDPDE4DHDAC4
SCHEMBL14737176 0.87 KDR (0.33) ALDH1A1HPGDHDAC4HDAC2HDAC8
SCHEMBL14737010 0.86 PDE4D (0.38) ALDH1A1KDM4EPDE4DHDAC4HDAC2
SCHEMBL14737791 0.86 KDR (0.34) ALDH1A1KDM4EHPGDHDAC4HDAC2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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.