SCHEMBL2589372

SCHEMBL2589372

CCCCC(=O)OCCOc1c(-c2cccc3c2CCC3=O)ccc(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
GAA P10253 1/20 0.46
BRD4 O60885 1/20 0.39
CNR2 P34972 4/20 0.39
LTB4R Q15722 3/20 0.37
LTB4R2 Q9NPC1 3/20 0.37
FFAR4 Q5NUL3 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
S100A4 P26447 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL2594468 0.97 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDGAABRD4
SCHEMBL2588193 0.94 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDGAABRD4
SCHEMBL2593181 0.90 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDGAACNR2
SCHEMBL14737452 0.89 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDGAABRD4
SCHEMBL14737245 0.87 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDGAABRD4
SCHEMBL14738339 0.87 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDGAACNR2
SCHEMBL2592166 0.86 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDGAACNR2
SCHEMBL2590351 0.86 CNR2 (0.37) KDM4ECNR2FFAR4HDAC4HDAC2
SCHEMBL2589452 0.85 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDGAACNR2
SCHEMBL2588524 0.85 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDGAACNR2

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.