SCHEMBL2592953

SCHEMBL2592953

COc1ccc(-c2cccc3c2CCC3=O)c(OCC2(OC(=O)CC3CCCC3)CC2)c1OC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PDE4D Q08499 3/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
TP53 P04637 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
USP19 O94966 1/20 0.32
PDE1C Q14123 1/20 0.32
BRD4 O60885 1/20 0.32
PDE4A P27815 2/20 0.31
PDE4B Q07343 2/20 0.31
PDE4C Q08493 2/20 0.31

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
SCHEMBL2592970 0.89 ALDH1A1 (0.44) HPGDALDH1A1KDM4EPDE4DGAA
SCHEMBL2587930 0.89 ALDH1A1 (0.44) HPGDALDH1A1KDM4EPDE4DGAA
SCHEMBL2591706 0.87 ALDH1A1 (0.46) HPGDALDH1A1KDM4EPDE4DGAA
SCHEMBL14750365 0.87 PDE4D (0.36) HPGDKDM4EPDE4DTDP1L3MBTL1
SCHEMBL2588571 0.87 KDM4E (0.44) HPGDALDH1A1KDM4EPDE4DGAA
SCHEMBL2591448 0.87 ALDH1A1 (0.46) HPGDALDH1A1KDM4EPDE4DGAA
SCHEMBL2592409 0.86 HPGD (0.36) HPGDTDP1L3MBTL1HDAC4HDAC2
SCHEMBL14734710 0.86 ALDH1A1 (0.45) HPGDALDH1A1KDM4EPDE4DGAA
SCHEMBL2588853 0.85 ALDH1A1 (0.48) HPGDALDH1A1KDM4EPDE4DGAA
SCHEMBL2591735 0.85 ALDH1A1 (0.44) HPGDALDH1A1KDM4EPDE4DGAA

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 HPGD 1088/4885ALDH1A1 824/4885KDM4E 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.