SCHEMBL2600802

SCHEMBL2600802

CCC(=O)OCC(=O)OCC(=O)OCCOC(=O)COC(=O)COC(=O)CC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.54
DGKA P23743 1/20 0.43
GAA P10253 2/20 0.41
HTT P42858 1/20 0.39
ALDH1A1 P00352 3/20 0.39
BLM P54132 2/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
WRN Q14191 1/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA1A P35348 1/20 0.36
RECQL P46063 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL2600803 1.00 NAAA (0.54) NAAADGKAGAAHTTALDH1A1
SCHEMBL50301 0.89 NAAA (0.64) NAAADGKAGAAHTTALDH1A1
SCHEMBL4673456 0.86 NAAA (0.47) NAAADGKAGAAHTTALDH1A1
SCHEMBL4676648 0.86 NAAA (0.47) NAAADGKAGAAHTTALDH1A1
SCHEMBL27803412 0.86 NAAA (0.69) NAAADGKAHTTALDH1A1HPGD
Water SCHEMBL28123302 0.86 NAAA (0.61) NAAADGKAGAAHTTALDH1A1
SCHEMBL4673337 0.84 GAA (0.55) NAAAGAAALDH1A1CYP1A2MGAM
Ethylene SCHEMBL9937082 0.83 NAAA (0.58) NAAADGKAGAAHTTALDH1A1
Ethylene SCHEMBL6759867 0.83 NAAA (0.58) NAAADGKAGAAHTTALDH1A1
SCHEMBL28965374 0.83 NAAA (0.44) NAAADGKAGAAHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163806-B2 Controlled release of biologically active compounds from multi-armed oligomers BEZWADA BIOMEDICAL, LLC (US) 2012-04-24 US disclosed
US-20120010284-A1 CONTROLLED RELEASE OF BIOLOGICALLY ACTIVE COMPOUNDS FROM MULTI-ARMED OLIGOMERS BEZWADA BIOMEDICAL, LLC (US) 2012-01-12 US disclosed
US-8026285-B2 Control release of biologically active compounds from multi-armed oligomers BEZWADA BIOMEDICAL, LLC (US) 2011-09-27 US disclosed
US-20090076174-A1 CONTROL RELEASE OF BIOLOGICALLY ACTIVE COMPOUNDS FROM MULTI-ARMED OLIGOMERS BEZWADA BIOMEDICAL, LLC (US) 2009-03-19 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-20090076174-A1 CONTROL RELEASE OF BIOLOGICALLY ACTIVE COMPOUNDS FROM MULTI-ARMED OLIGOMERS MME, CTSA, ALG1 NAAA 437/4885DGKA 3158/4885GAA 12/4885
US-20120010284-A1 CONTROLLED RELEASE OF BIOLOGICALLY ACTIVE COMPOUNDS FROM MULTI-ARMED OLIGOMERS MME, AADAC, LGMN NAAA 497/4885DGKA 3147/4885GAA 13/4885

“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.