SCHEMBL2589059

SCHEMBL2589059

CCOC(=O)COc1c(-c2cccc3c2COC3=O)ccc(OC)c1OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 7/20 0.39
KDM4E B2RXH2 4/20 0.38
HPGD P15428 4/20 0.38
GAA P10253 3/20 0.38
MAPT P10636 3/20 0.38
PDE4D Q08499 2/20 0.38
CYP2C19 P33261 2/20 0.38
PTPN1 P18031 1/20 0.38
CYP1A2 P05177 1/20 0.38
ATM Q13315 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HSD17B10 Q99714 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
PRF1 P14222 1/20 0.36

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
SCHEMBL2588936 0.95 MEN1 (0.41) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL2591338 0.93 PDE4D (0.37) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL2592853 0.93 PDE4D (0.38) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL2594430 0.91 PDE4D (0.39) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL14737386 0.91 PDE4D (0.39) KMT2AMEN1POLBALDH1A1HPGD
SCHEMBL2585631 0.91 PDE4D (0.38) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL2584338 0.89 PDE4D (0.38) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL2591761 0.89 PDE4D (0.37) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL14750940 0.88 PDE4D (0.39) KMT2AMEN1ALDH1A1HPGDPDE4D
SCHEMBL2584389 0.88 PDE4D (0.39) KMT2AMEN1ALDH1A1HPGDMAPT

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 KMT2A 2533/4885MEN1 3420/4885POLB 1633/4885

“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.