SCHEMBL7781220

SCHEMBL7781220

COCOc1c2occc2cc2ccc(=O)oc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.72
MAOA P21397 3/20 0.72
CYP1A2 P05177 3/20 0.72
CYP2D6 P10635 1/20 0.72
CYP2A6 P11509 1/20 0.72
TSHR P16473 1/20 0.72
ACHE P22303 1/20 0.72
PDE4A P27815 1/20 0.72
MAPK1 P28482 1/20 0.72
CYP2C19 P33261 1/20 0.72
SLC6A3 Q01959 1/20 0.72
CYP2A13 Q16696 1/20 0.72
ALDH1A1 P00352 5/20 0.65
CYP1B1 Q16678 3/20 0.65
BACE1 P56817 2/20 0.65
ABCB1 P08183 2/20 0.65
GAA P10253 2/20 0.65
RECQL P46063 1/20 0.65
KCNA3 P22001 3/20 0.62
KCNA5 P22460 2/20 0.62

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
SCHEMBL8806449 0.86 CYP3A4 (0.71) CYP3A4MAOACYP1A2CYP2D6CYP2A6
Methoxsalen SCHEMBL29376525 0.84 CYP3A4 (1.00) CYP3A4MAOACYP1A2CYP2D6CYP2A6
Methoxsalen SCHEMBL19168 0.84 CYP3A4 (1.00) CYP3A4MAOACYP1A2CYP2D6CYP2A6
Methoxsalen SCHEMBL2302069 0.84 CYP3A4 (1.00) CYP3A4MAOACYP1A2CYP2D6CYP2A6
SCHEMBL9184365 0.83 MAOA (0.76) CYP3A4MAOACYP1A2CYP2D6CYP2A6
Methoxsalen SCHEMBL6142553 0.82 CYP3A4 (0.97) CYP3A4MAOACYP1A2CYP2D6CYP2A6
SCHEMBL18788617 0.82 MAOA (0.78) CYP3A4MAOACYP1A2CYP2D6CYP2A6
SCHEMBL18788581 0.82 CA9 (0.70) CYP3A4MAOACYP1A2CYP2D6CYP2A6
SCHEMBL13920857 0.82 MAOA (0.69) CYP3A4MAOACYP1A2CYP2D6CYP2A6
SCHEMBL4262282 0.82 CYP3A4 (0.65) CYP3A4MAOACYP1A2CYP2D6CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2236503-B1 Cinamic compounds and derivatives therefrom for the inhibition of histone deacetylase NATUREWISE BIOTECH & MEDICALS CORP (TW) 2014-02-26 EP disclosed
US-8318801-B2 Cinnamic compounds and derivatives therefrom for the inhibition of histone deacetylase NATUREWISE BIOTECH & MEDICALS CORPORATION (TW) 2012-11-27 US disclosed
US-8318801-B2 Cinnamic compounds and derivatives therefrom for the inhibition of histone deacetylase NATUREWISE BIOTECH & MEDICALS CORPORATION (TW) 2012-11-27 US disclosed
US-20110224294-A1 CINAMIC COMPOUNDS AND DERIVATIVES THEREFROM FOR THE INHIBITION OF HISTONE DEACETYLASE NATUREWISE BIOTECH & MEDICALS CORPORATION (TW) 2011-09-15 US disclosed
US-20110224294-A1 CINAMIC COMPOUNDS AND DERIVATIVES THEREFROM FOR THE INHIBITION OF HISTONE DEACETYLASE NATUREWISE BIOTECH & MEDICALS CORPORATION (TW) 2011-09-15 US disclosed
US-7994357-B2 Cinamic compounds and derivatives therefrom for the inhibition of histone deacetylase NATUREWISE BIOTECH & MEDICALS CORPORATION (TW) 2011-08-09 US disclosed
US-7994357-B2 Cinamic compounds and derivatives therefrom for the inhibition of histone deacetylase NATUREWISE BIOTECH & MEDICALS CORPORATION (TW) 2011-08-09 US disclosed
US-20100256401-A1 CINAMIC COMPOUNDS AND DERIVATIVES THEREFROM FOR THE INHIBITION OF HISTONE DEACETYLASE NATUREWISE BIOTECH & MEDICALS CORPORATION (TW) 2010-10-07 US disclosed
US-20100256401-A1 CINAMIC COMPOUNDS AND DERIVATIVES THEREFROM FOR THE INHIBITION OF HISTONE DEACETYLASE NATUREWISE BIOTECH & MEDICALS CORPORATION (TW) 2010-10-07 US disclosed
EP-2236503-A1 Cinamic compounds and derivatives therefrom for the inhibition of histone deacetylase NatureWise Biotech & Medicals Corporation (TW) 2010-10-06 EP 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 (2 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-20100256401-A1 CINAMIC COMPOUNDS AND DERIVATIVES THEREFROM FOR THE INHIBITION OF HISTONE DEACETYLASE SMN1; SMN2, HDAC1, HDAC5 CYP3A4 4539/4885MAOA 1639/4885CYP1A2 4213/4885
US-20110224294-A1 CINAMIC COMPOUNDS AND DERIVATIVES THEREFROM FOR THE INHIBITION OF HISTONE DEACETYLASE SMN1; SMN2, HDAC1, HDAC5 CYP3A4 4539/4885MAOA 1639/4885CYP1A2 4213/4885

“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.