SCHEMBL5050622

SCHEMBL5050622

CC(CO)(CO)NCCCCO

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
PTGS1 P23219 1/20 0.34
KCNH2 Q12809 1/20 0.34
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

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
SCHEMBL5058751 0.92 PTGS1 (0.39) TDP1PTGS1KCNH2CA1CA2
SCHEMBL5050683 0.85 TDP1 (0.39) TDP1PTGS1KCNH2CA1CA2
SCHEMBL5052104 0.83 TDP1 (0.38) TDP1CA1CA2CA12CA9
SCHEMBL10683616 0.83 TDP1 (0.38) TDP1CA1CA2CA12CA9
SCHEMBL4599988 0.81
SCHEMBL11922819 0.80 TSHR (0.36) CA1CA2CA12SMN1; SMN2LMNA
SCHEMBL3317690 0.79 TDP1 (0.42) TDP1PTGS1KCNH2CA1CA2
Water SCHEMBL3307446 0.77 TDP1 (0.41) TDP1PTGS1KCNH2CA1CA2
SCHEMBL18555820 0.77 TDP1 (0.45) TDP1PTGS1KCNH2CA1CA2
SCHEMBL3313068 0.77 TDP1 (0.45) TDP1PTGS1KCNH2CA1CA2

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-2004009665-A2 DENDRIMERS AS MOLECULAR TRANSLOCATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-01-29 WO disclosed
WO-2004009666-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 1414/4885PTGS1 771/4885KCNH2 2654/4885
US-20080221020-A1 Dendrimers as Molecular Translocators SLC29A1, SLC29A2, TSPO TDP1 1414/4885PTGS1 771/4885KCNH2 2654/4885

“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.