SCHEMBL14754052

SCHEMBL14754052

C=C=CC(C)(COc1c(C)ccc(OC)c1OC)C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ ALDH1A1 P00352 6/20 0.33
▸ CNR2 P34972 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ FDPS P14324 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ GLA P06280 1/20 0.32
▸ FBP1 P09467 1/20 0.31
▸ LMNA P02545 1/20 0.31

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
SCHEMBL14750665 0.73 PPARA (0.48) GAAMAPTALDH1A1CNR2SMN1; SMN2
SCHEMBL14749778 0.73 L3MBTL1 (0.44) GAAMAPTALDH1A1CNR2SMN1; SMN2
SCHEMBL14749777 0.72 CYP2C9 (0.55) GAAMAPTALDH1A1SMN1; SMN2TDP1
SCHEMBL16784834 0.70 ALDH1A1 (0.52) GAAMAPTALDH1A1L3MBTL1POLB
SCHEMBL16784835 0.65 SMN1; SMN2 (0.53) GAAMAPTALDH1A1SMN1; SMN2TDP1
SCHEMBL10806123 0.64 MAPT (0.42) GAAMAPTALDH1A1CNR2SMN1; SMN2
SCHEMBL21753940 0.64 ALDH1A1 (0.43) GAAMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL16784850 0.64 PPARA (0.46) GAAMAPTALDH1A1CNR2SMN1; SMN2
SCHEMBL14750650 0.63 ALDH1A1 (0.41) GAAMAPTALDH1A1SMN1; SMN2TDP1
SCHEMBL14749776 0.63 L3MBTL1 (0.42) GAAMAPTALDH1A1SMN1; SMN2L3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GAA 202/4885MAPT 4737/4885ALDH1A1 824/4885

“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.

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