SCHEMBL14736890

SCHEMBL14736890

COc1ccc(-c2cccc3c2COC3=O)c(OCC(C)(C)CCC(=O)O)c1OC

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.36
PDE4D Q08499 2/20 0.36
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
MAOB P27338 2/20 0.35
KDM4E B2RXH2 3/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
IMPDH1 P20839 6/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
IMPDH2 P12268 3/20 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
SCHEMBL14737052 0.94 FFAR4 (0.39) FFAR4PDE4DHDAC4HDAC2HDAC8
SCHEMBL14737707 0.94 IMPDH1 (0.39) FFAR4PDE4DHDAC4HDAC2HDAC8
SCHEMBL14737717 0.93 IMPDH1 (0.40) FFAR4PDE4DHDAC4HDAC2HDAC8
SCHEMBL14736988 0.90 PDE4D (0.39) FFAR4PDE4DHDAC4HDAC2HDAC8
SCHEMBL14737492 0.88 PDE4D (0.38) FFAR4PDE4DHDAC4HDAC2HDAC8
SCHEMBL14737870 0.87 PDE4D (0.36) PDE4DHDAC4HDAC2HDAC8MAOB
SCHEMBL17599631 0.86 HDAC4 (0.39) PDE4DHDAC4HDAC2HDAC8MAOB
SCHEMBL14737143 0.86 PDE4D (0.34) PDE4DHDAC4HDAC2HDAC8MAOB
SCHEMBL14736866 0.85 PDE4D (0.36) PDE4DHDAC4HDAC2HDAC8MAOB
SCHEMBL14734794 0.84 HPGD (0.45) PDE4DHDAC4HDAC2HDAC8MAOB

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 2 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-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 FFAR4 1858/4885PDE4D 10/4885HDAC4 105/4885

“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.