SCHEMBL2591208

SCHEMBL2591208

COCCOCC(=O)OCCOc1c(-c2ccc3c(c2)COC3=O)ccc(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.41
PDE4D Q08499 11/20 0.41
IMPDH2 P12268 2/20 0.39
PRF1 P14222 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
ABCB1 P08183 1/20 0.38
POLQ O75417 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL14736944 0.89 ABCG2 (0.41) ABCG2PDE4DIMPDH2PRF1PDE4A
SCHEMBL2588170 0.88 PDE4D (0.45) ABCG2PDE4DIMPDH2PRF1PDE4A
SCHEMBL2589091 0.86 PDE4D (0.46) ABCG2PDE4DIMPDH2PRF1PDE4A
SCHEMBL2581889 0.86 PDE4D (0.40) ABCG2PDE4DIMPDH2PRF1ABCB1
SCHEMBL2586070 0.86 PDE4D (0.44) ABCG2PDE4DIMPDH2PRF1PDE4A
SCHEMBL2589233 0.85 PDE4D (0.40) ABCG2PDE4DIMPDH2PDE4APDE4B
SCHEMBL2587716 0.85 PDE4D (0.42) ABCG2PDE4DIMPDH2PRF1PDE4A
SCHEMBL14734723 0.85 HSD17B1 (0.40) PDE4DKDM4E
SCHEMBL2594467 0.85 PDE4D (0.46) PDE4DPRF1PDE4APDE4BPDE4C
SCHEMBL2591422 0.85 PDE4D (0.50) ABCG2PDE4DIMPDH2PRF1PDE4A

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 ABCG2 1085/4885PDE4D 10/4885IMPDH2 402/4885

“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.