SCHEMBL14750031

SCHEMBL14750031

COC(=O)C(C)(C)COc1c(C)ccc(O)c1O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.41
▸ DGAT1 O75907 6/20 0.38
▸ CNR2 P34972 2/20 0.36
▸ SCN5A Q14524 1/20 0.34
▸ SSTR4 P31391 4/20 0.34
▸ CNR1 P21554 1/20 0.33
▸ SSTR1 P30872 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ LCK P06239 1/20 0.31
▸ VDR P11473 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
SCHEMBL14750037 0.85 CYP2C9 (0.54) CYP2C9DGAT1SCN5A
SCHEMBL14749778 0.78 L3MBTL1 (0.44) CYP2C9DGAT1CNR2SSTR4SSTR1
SCHEMBL14750029 0.73 CYP2C9 (0.55) CYP2C9DGAT1
SCHEMBL21991921 0.73 CYP2C9 (0.75) CYP2C9HTT
SCHEMBL5366382 0.73 HPGD (0.49) CYP2C9
SCHEMBL14750655 0.71 CD69 (0.46) SCN5AHTT
SCHEMBL13948727 0.70 CYP2C9 (0.46) CYP2C9DGAT1
SCHEMBL5367643 0.68 SSTR4 (0.51) DGAT1SSTR4
SCHEMBL3881117 0.68 DGAT1 (0.49) DGAT1HTT
SCHEMBL14750660 0.68 ESR1 (0.48) CYP2C19

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-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 CYP2C9 889/4885DGAT1 942/4885CNR2 2470/4885

“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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