SCHEMBL14737245

SCHEMBL14737245

CCCCOC(=O)COc1c(-c2cccc3c2CCC3=O)ccc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 2/20 0.37
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
ELANE P08246 1/20 0.36
HTT P42858 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
SCHEMBL14737375 0.94 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDTDP1L3MBTL1
SCHEMBL2593056 0.94 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDTDP1GAA
SCHEMBL2584438 0.90 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDL3MBTL1GAA
SCHEMBL2591552 0.88 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDTDP1GAA
SCHEMBL2589372 0.87 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDL3MBTL1GAA
SCHEMBL2594468 0.87 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDL3MBTL1GAA
SCHEMBL2590015 0.87 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDGAAKMT2A
SCHEMBL14737437 0.85 PDE4D (0.40) ALDH1A1KDM4ETDP1L3MBTL1KMT2A
SCHEMBL2588193 0.85 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDL3MBTL1GAA
SCHEMBL2588319 0.85 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDTDP1L3MBTL1

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 7 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

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.