SCHEMBL14736573

SCHEMBL14736573

COc1ccc(-c2cccc3c2CCC3=O)c(OCC(C)(C)C(=O)OC2CCC2)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
PDE4D Q08499 1/20 0.36
TP53 P04637 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
HTR1A P08908 1/20 0.34
ADRB3 P13945 1/20 0.34
TSHR P16473 1/20 0.34
SLC6A4 P31645 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
SSTR4 P31391 1/20 0.34
ABCB1 P08183 2/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL14736576 0.98 KDM4E (0.45) KDM4EALDH1A1HPGDPDE4DTP53
SCHEMBL14736937 0.98 KDM4E (0.45) KDM4EALDH1A1HPGDPDE4DTP53
SCHEMBL2592999 0.98 KDM4E (0.45) KDM4EALDH1A1HPGDPDE4DTP53
SCHEMBL2591914 0.93 KDM4E (0.42) KDM4EALDH1A1HPGDPDE4DTP53
SCHEMBL14737197 0.93 HPGD (0.39) KDM4EALDH1A1HPGDPDE4DTP53
SCHEMBL14734780 0.90 KDM4E (0.40) KDM4EALDH1A1HPGDPDE4DHDAC4
SCHEMBL14734811 0.90 KDM4E (0.40) KDM4EALDH1A1HPGDPDE4DHDAC4
SCHEMBL2586132 0.90 KDM4E (0.37) KDM4EALDH1A1HPGDPDE4DTP53
SCHEMBL2588129 0.88 ALDH1A1 (0.50) KDM4EALDH1A1HPGDPDE4DHDAC4
SCHEMBL14738022 0.88 ALDH1A1 (0.42) KDM4EALDH1A1HPGDPDE4DHDAC4

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 10 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 claimed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US claimed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 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 KDM4E 1593/4885ALDH1A1 824/4885HPGD 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.