SCHEMBL2587930

SCHEMBL2587930

COc1ccc(-c2cccc3c2CCC3=O)c(OCC2(OC(=O)C3CCCCC3)CC2)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 2/20 0.44
PDE4D Q08499 1/20 0.36
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HSD11B1 P28845 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32

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 1.00 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EPDE4DHDAC4
SCHEMBL2588571 0.98 KDM4E (0.44) ALDH1A1HPGDKDM4EPDE4DHDAC4
SCHEMBL2591448 0.96 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EPDE4DHDAC4
SCHEMBL2591779 0.92 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EPDE4DHDAC4
SCHEMBL2592953 0.89 HPGD (0.42) ALDH1A1HPGDKDM4EPDE4DHDAC4
SCHEMBL2588853 0.88 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EPDE4DHDAC4
SCHEMBL14738155 0.88 PDE4D (0.37) ALDH1A1KDM4EPDE4DHDAC4HDAC2
SCHEMBL14737148 0.87 HPGD (0.35) HPGDHDAC4HDAC2HDAC8TP53
SCHEMBL14737026 0.86 PDE4D (0.38) KDM4EPDE4DHDAC4HDAC2HDAC8
SCHEMBL2591706 0.86 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EPDE4DHDAC4

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
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
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 824/4885HPGD 1088/4885KDM4E 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.