SCHEMBL4265028

SCHEMBL4265028

COC(=O)C(C)Oc1c2occc2cc2ccc(=O)oc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.64
MAOA P21397 3/20 0.64
CYP1A2 P05177 2/20 0.64
MAPK1 P28482 2/20 0.64
CYP2C19 P33261 2/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2A6 P11509 1/20 0.64
TSHR P16473 1/20 0.64
ACHE P22303 1/20 0.64
PDE4A P27815 1/20 0.64
SLC6A3 Q01959 1/20 0.64
CYP2A13 Q16696 1/20 0.64
KDM4E B2RXH2 6/20 0.62
HSD17B10 Q99714 4/20 0.62
POLB P06746 2/20 0.62
MAPT P10636 2/20 0.62
ALDH1A1 P00352 5/20 0.53
BACE1 P56817 2/20 0.53
GAA P10253 2/20 0.53
CYP1B1 Q16678 2/20 0.53

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
SCHEMBL18788583 0.83 CYP3A4 (0.71) CYP3A4MAOACYP1A2MAPK1CYP2C19
Methoxsalen SCHEMBL19168 0.79 CYP3A4 (1.00) CYP3A4MAOACYP1A2MAPK1CYP2C19
Methoxsalen SCHEMBL29376525 0.79 CYP3A4 (1.00) CYP3A4MAOACYP1A2MAPK1CYP2C19
Methoxsalen SCHEMBL2302069 0.79 CYP3A4 (1.00) CYP3A4MAOACYP1A2MAPK1CYP2C19
Methoxsalen SCHEMBL6142553 0.77 CYP3A4 (0.97) CYP3A4MAOACYP1A2MAPK1CYP2C19
SCHEMBL4262282 0.77 CYP3A4 (0.65) CYP3A4MAOACYP1A2MAPK1CYP2C19
SCHEMBL31232813 0.76 ALDH1A1 (0.62) CYP3A4MAOACYP1A2MAPK1CYP2C19
Methoxsalen SCHEMBL10572509 0.74 CYP3A4 (0.84) CYP3A4MAOACYP1A2MAPK1CYP2C19
SCHEMBL18788581 0.74 CA9 (0.70) CYP3A4MAOACYP1A2MAPK1CYP2C19
SCHEMBL13985912 0.74 MAOA (0.68) CYP3A4MAOACYP1A2MAPK1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802892-B2 Functionalized phenolic compounds and polymers therefrom BEZWADA BIOMEDICAL, LLC (US) 2014-08-12 US disclosed
US-8802892-B2 Functionalized phenolic compounds and polymers therefrom BEZWADA BIOMEDICAL, LLC (US) 2014-08-12 US disclosed
US-8802892-B2 Functionalized phenolic compounds and polymers therefrom BEZWADA BIOMEDICAL, LLC (US) 2014-08-12 US disclosed
US-20130281652-A1 FUNCTIONALIZED PHENOLIC COMPOUNDS AND POLYMERS THEREFROM BEZWADA BIOMEDICAL, LLC 2013-10-24 US disclosed
US-20130281652-A1 FUNCTIONALIZED PHENOLIC COMPOUNDS AND POLYMERS THEREFROM BEZWADA BIOMEDICAL, LLC 2013-10-24 US disclosed
US-20130281652-A1 FUNCTIONALIZED PHENOLIC COMPOUNDS AND POLYMERS THEREFROM BEZWADA BIOMEDICAL, LLC 2013-10-24 US disclosed
US-8318973-B2 Functionalized sinapic acid and methyl sinapate BEZWADA BIOMEDICAL, LLC (US) 2012-11-27 US disclosed
US-8318973-B2 Functionalized sinapic acid and methyl sinapate BEZWADA BIOMEDICAL, LLC (US) 2012-11-27 US disclosed
US-8318973-B2 Functionalized sinapic acid and methyl sinapate BEZWADA BIOMEDICAL, LLC (US) 2012-11-27 US disclosed
US-20090170927-A1 FUNCTIONALIZED PHENOLIC COMPOUNDS AND POLYMERS THEREFROM BEZWADA BIOMEDICAL, LLC (US) 2009-07-02 US disclosed
US-20090170927-A1 FUNCTIONALIZED PHENOLIC COMPOUNDS AND POLYMERS THEREFROM BEZWADA BIOMEDICAL, LLC (US) 2009-07-02 US disclosed
US-20090170927-A1 FUNCTIONALIZED PHENOLIC COMPOUNDS AND POLYMERS THEREFROM BEZWADA BIOMEDICAL, LLC (US) 2009-07-02 US disclosed
EP-1951260-A2 FUNCTIONALIZED PHENOLIC COMPOUNDS AND ABSORBABLE THEREFROM Bezwada Biomedical LLC (US) 2008-08-06 EP disclosed
WO-2007053794-A2 FUNCTIONALIZED PHENOLIC COMPOUNDS AND ABSORBABLE THEREFROM BEZWADA BIOMEDICAL LLC (US) 2007-05-10 WO disclosed
WO-2007053794-A2 FUNCTIONALIZED PHENOLIC COMPOUNDS AND ABSORBABLE THEREFROM BEZWADA BIOMEDICAL LLC (US) 2007-05-10 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-20090170927-A1 FUNCTIONALIZED PHENOLIC COMPOUNDS AND POLYMERS THEREFROM COMT, AOX1, UGT1A6 CYP3A4 345/4885MAOA 72/4885CYP1A2 181/4885

“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.