SCHEMBL13915151

SCHEMBL13915151

NCCOCCNC(=O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(=O)NCCOCCN

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KIF11 P52732 1/20 0.32
▸ CA3 P07451 2/20 0.31
▸ CA5A P35218 2/20 0.31
▸ CA5B Q9Y2D0 2/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA4 P22748 1/20 0.31
▸ CA6 P23280 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ CA14 Q9ULX7 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.30
▸ ENO1 P06733 1/20 0.30

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
SCHEMBL13915152 0.92 PAOX (0.38) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL11938262 0.91 MEN1 (0.35) MEN1KMT2AKIF11
SCHEMBL11938264 0.91 MEN1 (0.35) MEN1KMT2AKIF11
SCHEMBL11938243 0.87 HDAC6 (0.35) ALDH1A1SMN1; SMN2POLBKIF11HDAC6
SCHEMBL13915116 0.86 — —
SCHEMBL13915159 0.85 TLR2 (0.31) MEN1KMT2A
SCHEMBL11938229 0.84 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL12833035 0.84 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL13915083 0.83 MEN1 (0.37) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
Hydrochloric Acid SCHEMBL23148226 0.82 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090074673-A1 Compositions and methods for producing cellular labels for nuclear magnetic resonance techniques CARNEGIE MELLON UNIVERSITY (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 (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-20090074673-A1 Compositions and methods for producing cellular labels for nuclear magnetic resonance techniques NES, MKI67, CD68 ALDH1A1 4063/4885SMN1; SMN2 13/4885POLB 2191/4885

“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.

Send feedback