SCHEMBL2589152

SCHEMBL2589152

COc1ccc(-c2ccc3c(c2)COC3=O)c(OC(C)=O)c1OC

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 4/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
PDE4D Q08499 7/20 0.46
IMPDH2 P12268 2/20 0.45
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.42
CYP19A1 P11511 1/20 0.42

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
SCHEMBL14735883 0.88 PDE4D (0.46) PRF1KDM4ELMNACYP3A4PDE4D
SCHEMBL14734792 0.88 KDM4E (0.47) PRF1KDM4ELMNACYP3A4PDE4D
SCHEMBL14738144 0.87 PDE4D (0.48) PRF1KDM4ELMNACYP3A4PDE4D
SCHEMBL14737690 0.86 KDM4E (0.49) PRF1KDM4ELMNACYP3A4PDE4D
SCHEMBL2593168 0.85 CYP3A4 (0.51) PRF1KDM4ELMNACYP3A4PDE4D
SCHEMBL2596115 0.85 CYP3A4 (0.51) PRF1KDM4ELMNACYP3A4PDE4D
SCHEMBL14737181 0.85 PDE4D (0.47) PRF1KDM4ELMNACYP3A4PDE4D
SCHEMBL2586070 0.85 PDE4D (0.44) PRF1KDM4ELMNACYP3A4PDE4D
SCHEMBL14735887 0.85 PDE4D (0.46) PRF1KDM4ELMNACYP3A4PDE4D
SCHEMBL14737372 0.85 PRF1 (0.45) PRF1KDM4ELMNACYP3A4PDE4D

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
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 PRF1 3550/4885KDM4E 1593/4885LMNA 2433/4885

“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.