SCHEMBL5050683

SCHEMBL5050683

CC(CCCO)(CCCO)NCCCCO

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32
CYP4F2 P78329 2/20 0.31
CYP4A11 Q02928 2/20 0.31
PTGS1 P23219 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL5052104 0.93 TDP1 (0.38) TDP1CA1CA2CA12CA9
SCHEMBL19353086 0.88 LMNA (0.50) TDP1SMN1; SMN2LMNAALDH1A1HSD17B10
SCHEMBL21790560 0.86 LMNA (0.48) TDP1SMN1; SMN2LMNAALDH1A1HSD17B10
SCHEMBL5050622 0.85 TDP1 (0.39) TDP1CA1CA2CA12CA9
SCHEMBL10683616 0.83 TDP1 (0.38) TDP1CA1CA2CA12CA9
SCHEMBL19352786 0.81 LMNA (0.46) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL3317690 0.79 TDP1 (0.42) TDP1CA1CA2CA12CA9
SCHEMBL19966768 0.79 LMNA (0.44) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL5058751 0.77 PTGS1 (0.39) TDP1CA1CA2CA12CA9
SCHEMBL18555820 0.77 TDP1 (0.45) TDP1CA1CA2CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7862807-B2 Dendrimers as molecular translocators UNIVERSITY OF CALIFORNIA, SAN DIEGO (US) 2011-01-04 US disclosed
US-20080221020-A1 Dendrimers as Molecular Translocators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-09-11 US disclosed
EP-1545462-A4 DENDRIMERS AS MOLECULAR TRANSLOCATORS UNIV CALIFORNIA (US) 2007-08-08 EP disclosed
US-20060216265-A1 Dendrimers as molecular translocators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2006-09-28 US disclosed
EP-1545462-A2 DENDRIMERS AS MOLECULAR TRANSLOCATORS The Regents of the University of California (US) 2005-06-29 EP disclosed
WO-2004009666-A2 DENDRIMERS AS MOLECULAR TRANSLOCATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-01-29 WO disclosed
WO-2004009665-A2 DENDRIMERS AS MOLECULAR TRANSLOCATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-01-29 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 (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-20060216265-A1 Dendrimers as molecular translocators SLC29A1, SLC29A2, TSPO TDP1 1414/4885CA1 4290/4885CA2 2620/4885
US-20080221020-A1 Dendrimers as Molecular Translocators SLC29A1, SLC29A2, TSPO TDP1 1414/4885CA1 4290/4885CA2 2620/4885

“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.