SCHEMBL2591552

SCHEMBL2591552

CCCOC(=O)COc1c(-c2cccc3c2CCC3=O)ccc(OC)c1OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.44
HPGD P15428 5/20 0.44
KDM4E B2RXH2 4/20 0.44
GAA P10253 2/20 0.42
S1PR1 P21453 1/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
USP2 O75604 2/20 0.36
S100A4 P26447 1/20 0.36
BRD4 O60885 1/20 0.36
HSD17B10 Q99714 3/20 0.34
POLB P06746 2/20 0.34
APEX1 P27695 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NPSR1 Q6W5P4 3/20 0.34
PDE4D Q08499 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 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
SCHEMBL14737375 0.94 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EGAAS1PR1
SCHEMBL2593056 0.94 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EGAAS1PR1
SCHEMBL2588136 0.93 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EGAAS1PR1
SCHEMBL2591250 0.90 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EGAAS1PR1
SCHEMBL2594259 0.89 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EGAAS1PR1
SCHEMBL14737245 0.88 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EGAAKMT2A
SCHEMBL2584438 0.88 ALDH1A1 (0.51) ALDH1A1HPGDKDM4EGAAS1PR1
SCHEMBL2592452 0.88 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EGAAS1PR1
SCHEMBL14737011 0.86 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EGAAS1PR1
SCHEMBL2581840 0.86 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EGAAS1PR1

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 824/4885HPGD 1088/4885KDM4E 1593/4885

“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.