SCHEMBL13635974

SCHEMBL13635974

CC(=O)CCC(=O)OCCOC(=O)CCC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
ADRA2A P08913 1/20 0.54
ADRA1A P35348 1/20 0.54
MAPT P10636 2/20 0.52
BLM P54132 1/20 0.52
DGKA P23743 1/20 0.50
LMNA P02545 1/20 0.46
SLC15A2 Q16348 1/20 0.46
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 2/20 0.41
HTR2C P28335 1/20 0.39
TRPA1 O75762 1/20 0.38
GAA P10253 2/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL14879118 0.93 ADRA2A (0.48) ALDH1A1ADRA2AADRA1AMAPTBLM
SCHEMBL16020457 0.93 ADRA2A (0.48) ALDH1A1ADRA2AADRA1AMAPTBLM
SCHEMBL16020410 0.93 ADRA2A (0.48) ALDH1A1ADRA2AADRA1AMAPTBLM
SCHEMBL4570263 0.93 ADRA2A (0.48) ALDH1A1ADRA2AADRA1AMAPTBLM
SCHEMBL14573478 0.92 ALDH1A1 (0.53) ALDH1A1ADRA2AADRA1AMAPTBLM
SCHEMBL756978 0.91 ADRA2A (0.46) ALDH1A1ADRA2AADRA1AMAPTBLM
SCHEMBL16285472 0.91 LMNA (0.64) ALDH1A1ADRA2AADRA1AMAPTBLM
SCHEMBL4567078 0.90 ALDH1A1 (0.50) ALDH1A1ADRA2AADRA1AMAPTBLM
SCHEMBL4567262 0.90 ALDH1A1 (0.50) ALDH1A1ADRA2AADRA1AMAPTBLM
SCHEMBL4465312 0.89 ADRA2A (0.54) ALDH1A1ADRA2AADRA1AMAPTBLM

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-20160237302-A1 WATERBORNE COMPOSITIONS CALLAGHAN INNOVATION RESEARCH LIMITED (NZ) 2016-08-18 US disclosed
US-20160237302-A1 WATERBORNE COMPOSITIONS CALLAGHAN INNOVATION RESEARCH LIMITED (NZ) 2016-08-18 US disclosed
WO-2015038012-A1 WATERBORNE COMPOSITIONS VICTORIA LINK LIMITED (NZ) 2015-03-19 WO disclosed
US-20130030139-A1 DENDRITIC POLYMERS AND MAGNETIC RESONANCE IMAGING CONTRAST AGENT EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2013-01-31 US disclosed
US-8303937-B2 Dendritic polymers and magnetic resonance imaging contrast agent employing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-11-06 US disclosed
US-20090169481-A1 DENDRITIC POLYMERS AND MAGNETIC RESONANCE IMAGING CONTRAST AGENT EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2009-07-02 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 (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-20090169481-A1 DENDRITIC POLYMERS AND MAGNETIC RESONANCE IMAGING CONTRAST AGENT EMPLOYING THE SAME DCLK1, MSR1, S1PR3 ALDH1A1 4783/4885ADRA2A 3747/4885ADRA1A 3171/4885

“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.