SCHEMBL1931489

SCHEMBL1931489

COC(=O)CCCCCOc1ccc(OC(=O)COCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.51
HDAC1 Q13547 6/20 0.48
HDAC2 Q92769 6/20 0.48
HDAC3 O15379 5/20 0.48
HDAC4 P56524 5/20 0.48
HDAC7 Q8WUI4 5/20 0.48
HDAC10 Q969S8 5/20 0.48
HDAC11 Q96DB2 5/20 0.48
HDAC8 Q9BY41 5/20 0.48
HDAC6 Q9UBN7 5/20 0.48
HDAC9 Q9UKV0 5/20 0.48
HDAC5 Q9UQL6 5/20 0.48
LMNA P02545 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
PLA2G4B P0C869 3/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL810020 0.86 NPC1 (0.61) LTA4HHDAC1HDAC2HDAC3HDAC4
SCHEMBL831276 0.85 RAB9A (0.61) LTA4HHDAC8KMT2AMEN1NPC1
SCHEMBL12534490 0.85 GAA (0.51) LMNAKMT2AKDM4EMEN1NPC1
SCHEMBL12810622 0.83 HDAC8 (0.49) LTA4HHDAC8KMT2AMEN1NPC1
SCHEMBL25308442 0.82 EPHX2 (0.55) LTA4HLMNAKMT2AKDM4EMEN1
SCHEMBL832120 0.81 HDAC8 (0.62) LTA4HHDAC8KMT2AMEN1NPC1
SCHEMBL12147930 0.80 EPHX2 (0.53) LTA4HLMNAKDM4EALDH1A1HTT
SCHEMBL25270797 0.80 HDAC1 (0.66) LTA4HHDAC1HDAC2HDAC3HDAC4
SCHEMBL839640 0.80 HDAC1 (0.66) LTA4HHDAC1HDAC2HDAC3HDAC4
SCHEMBL10944790 0.80 HDAC1 (0.66) LTA4HHDAC1HDAC2HDAC3HDAC4

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
US-8372882-B2 Functionalized phenolic esters and amides and polymers therefrom BEZWADA BIOMEDICAL, LLC (US) 2013-02-12 US disclosed
US-8372882-B2 Functionalized phenolic esters and amides and polymers therefrom BEZWADA BIOMEDICAL, LLC (US) 2013-02-12 US disclosed
US-8372882-B2 Functionalized phenolic esters and amides and polymers therefrom BEZWADA BIOMEDICAL, LLC (US) 2013-02-12 US disclosed
US-20110130448-A1 FUNCTIONALIZED PHENOLIC ESTERS AND AMIDES AND POLYMERS THEREFROM BEZWADA BIOMEDICAL LLC (US) 2011-06-02 US disclosed
US-20110130448-A1 FUNCTIONALIZED PHENOLIC ESTERS AND AMIDES AND POLYMERS THEREFROM BEZWADA BIOMEDICAL LLC (US) 2011-06-02 US disclosed
US-20110130448-A1 FUNCTIONALIZED PHENOLIC ESTERS AND AMIDES AND POLYMERS THEREFROM BEZWADA BIOMEDICAL LLC (US) 2011-06-02 US disclosed
US-7858077-B2 Functionalized phenolic esters and amides and polymers therefrom BEZWADA BIOMEDICAL LLC (US) 2010-12-28 US disclosed
US-7858077-B2 Functionalized phenolic esters and amides and polymers therefrom BEZWADA BIOMEDICAL LLC (US) 2010-12-28 US disclosed
US-7858077-B2 Functionalized phenolic esters and amides and polymers therefrom BEZWADA BIOMEDICAL LLC (US) 2010-12-28 US disclosed
US-20060173065-A1 Functionalized phenolic esters and amides and polymers therefrom BEZWADA BIOMEDICAL LLC 2006-08-03 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 (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-20060173065-A1 Functionalized phenolic esters and amides and polymers therefrom HAAO, HAO2, HCAR3 LTA4H 2050/4885HDAC1 255/4885HDAC2 182/4885
US-20110130448-A1 FUNCTIONALIZED PHENOLIC ESTERS AND AMIDES AND POLYMERS THEREFROM HAO2, HCAR2, HAAO LTA4H 2387/4885HDAC1 198/4885HDAC2 114/4885

“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.