SCHEMBL3679273

SCHEMBL3679273

CCCCOC(=O)COC(=O)COCC(=O)OCC(=O)OCCCC

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
NAAA Q02083 1/20 0.52
ATM Q13315 1/20 0.48
DGKA P23743 1/20 0.47
TSHR P16473 2/20 0.45
HPGD P15428 1/20 0.45
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
FAAH O00519 1/20 0.43
PAM P19021 2/20 0.42
HCAR2 Q8TDS4 1/20 0.42
HTR2C P28335 1/20 0.42
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
CES2 O00748 1/20 0.41

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
SCHEMBL21275447 0.96 ALDH1A1 (0.56) ALDH1A1NAAAATMDGKATSHR
SCHEMBL1055702 0.89 ALDH1A1 (0.54) ALDH1A1NAAAATMDGKATSHR
SCHEMBL30643044 0.88 PAM (0.48) ALDH1A1NAAAATMDGKATSHR
SCHEMBL27803412 0.87 NAAA (0.69) ALDH1A1NAAAATMDGKATSHR
SCHEMBL21804419 0.87 NAAA (0.69) NAAADGKATSHRRAD52NPSR1
SCHEMBL1053061 0.87 ALDH1A1 (0.52) ALDH1A1NAAAATMDGKATSHR
SCHEMBL7652075 0.87 ALDH1A1 (0.52) ALDH1A1NAAAATMDGKATSHR
SCHEMBL445923 0.87 ALDH1A1 (0.52) ALDH1A1NAAAATMDGKATSHR
SCHEMBL10612024 0.85 DGKA (0.67) ALDH1A1NAAAATMDGKATSHR
SCHEMBL9889443 0.85 ALDH1A1 (0.68) ALDH1A1NAAAATMDGKATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399696-B2 Functionalized biodegradable triclosan monomers and oligomers for controlled release BEZWADA BIOMEDICAL, LLC (US) 2013-03-19 US disclosed
US-20120289614-A1 FUNCTIONALIZED BIODEGRADABLE TRICLOSAN MONOMERS AND OLIGOMERS FOR CONTROLLED RELEASE BEZWADA BIOMEDICAL, LLC (US) 2012-11-15 US disclosed
US-8232422-B2 Functionalized biodegradable triclosan monomers and oligomers for controlled release BEZWADA BIOMEDICAL, LLC (US) 2012-07-31 US disclosed
US-20120095114-A1 FUNCTIONALIZED BIODEGRADABLE TRICLOSAN MONOMERS AND OLIGOMERS FOR CONTROLLED RELEASE BEZWADA BIOMEDICAL, LLC (US) 2012-04-19 US disclosed
US-8053591-B2 Functionalized biodegradable triclosan monomers and oligomers for controlled release BEZWADA BIOMEDICAL, LLC (US) 2011-11-08 US disclosed
US-20090105352-A1 FUNCTIONALIZED BIODEGRADABLE TRICLOSAN MONOMERS AND OLIGOMERS FOR CONTROLLED RELEASE BEZWADA BIOMEDICAL, LLC (US) 2009-04-23 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 (3 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-20090105352-A1 FUNCTIONALIZED BIODEGRADABLE TRICLOSAN MONOMERS AND OLIGOMERS FOR CONTROLLED RELEASE LTN1, PARN, TLR3 ALDH1A1 4403/4885NAAA 2513/4885ATM 4440/4885
US-20120095114-A1 FUNCTIONALIZED BIODEGRADABLE TRICLOSAN MONOMERS AND OLIGOMERS FOR CONTROLLED RELEASE LTN1, PARN, TLR3 ALDH1A1 4403/4885NAAA 2513/4885ATM 4440/4885
US-20120289614-A1 FUNCTIONALIZED BIODEGRADABLE TRICLOSAN MONOMERS AND OLIGOMERS FOR CONTROLLED RELEASE LTN1, PARN, TLR3 ALDH1A1 4403/4885NAAA 2513/4885ATM 4440/4885

“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.