SCHEMBL4265248

SCHEMBL4265248

COC(=O)C(C)Oc1c2ccoc2cc2oc(=O)ccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
KDM4E B2RXH2 4/20 0.64
CYP3A4 P08684 2/20 0.64
CYP2A6 P11509 2/20 0.64
CYP1B1 Q16678 2/20 0.64
CYP1A1 P04798 2/20 0.64
CYP2D6 P10635 2/20 0.64
CYP2C19 P33261 2/20 0.64
CYP1A2 P05177 1/20 0.64
PGR P06401 1/20 0.64
ADORA3 P0DMS8 1/20 0.64
CYP2C9 P11712 1/20 0.64
KCNA2 P16389 1/20 0.64
TSHR P16473 1/20 0.64
MAOA P21397 1/20 0.64
HSD17B10 Q99714 1/20 0.64
ALDH2 P05091 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 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
Bergapten SCHEMBL50066 0.79 ALDH1A1 (1.00) ALDH1A1KDM4ECYP3A4CYP2A6CYP1B1
Bergapten SCHEMBL4731782 0.79 ALDH1A1 (1.00) ALDH1A1KDM4ECYP3A4CYP2A6CYP1B1
Bergapten SCHEMBL29529284 0.79 ALDH1A1 (1.00) ALDH1A1KDM4ECYP3A4CYP2A6CYP1B1
Bergapten SCHEMBL17008955 0.78 KDM4E (0.66) ALDH1A1KDM4ECYP3A4CYP2A6CYP1B1
SCHEMBL4269808 0.77 ALDH1A1 (0.65) ALDH1A1KDM4ECYP3A4CYP2A6CYP1B1
SCHEMBL29938574 0.76 ALDH1A1 (0.62) ALDH1A1KDM4ECYP3A4CYP2A6CYP1B1
SCHEMBL27293969 0.75 KCNA3 (0.65) ALDH1A1KDM4ECYP3A4CYP2A6CYP1B1
SCHEMBL2800797 0.73 KCNA3 (0.62) ALDH1A1KDM4ECYP3A4CYP2A6CYP1B1
SCHEMBL4265028 0.73 CYP3A4 (0.64) ALDH1A1KDM4ECYP3A4CYP2A6CYP1B1
SCHEMBL20035921 0.73 KDM4E (0.71) ALDH1A1KDM4ECYP3A4CYP2A6CYP1B1

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 ALDH1A1 384/4885KDM4E 1444/4885CYP3A4 345/4885

“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.