SCHEMBL14737469

SCHEMBL14737469

COc1ccc(-c2ccc3c(c2)CNC3=O)c(OC(=O)CCC2CCCC2)c1OC

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 12/20 0.46
NPSR1 Q6W5P4 1/20 0.39
GSK3B P49841 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TDP2 O95551 1/20 0.37
PRF1 P14222 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPKAPK2 P49137 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
SCHEMBL17613857 0.91 GSK3B (0.40) HPGDGSK3BPRF1GPR119MAPKAPK2
SCHEMBL14737237 0.85 HPGD (0.44) HPGDNPSR1ALDH1A1LMNATDP1
SCHEMBL14737111 0.85 TDP2 (0.39) GSK3BTDP2PRF1MAPKAPK2
SCHEMBL2593476 0.84 TOP2A (0.41) GSK3BTDP2PRF1MAPKAPK2
SCHEMBL2593764 0.84 GSK3B (0.37) HPGDGSK3BTDP2PRF1MAPKAPK2
SCHEMBL2593336 0.84 HPGD (0.44) HPGDGSK3BALDH1A1TDP2PRF1
SCHEMBL2593374 0.84 PRF1 (0.40) GSK3BTDP2PRF1MAPKAPK2
SCHEMBL14737305 0.83 PDE4D (0.43) HPGDNPSR1PRF1TDP1
SCHEMBL14734760 0.83 HPGD (0.35) HPGDALDH1A1LMNATDP1
SCHEMBL2589583 0.83 HPGD (0.45) HPGDGSK3BALDH1A1TDP2PRF1

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 8 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 claimed
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 HPGD 1088/4885NPSR1 2546/4885GSK3B 350/4885

“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.