SCHEMBL13915152

SCHEMBL13915152

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PAOX Q6QHF9 2/20 0.38
▸ MTNR1A P48039 3/20 0.33
▸ MTNR1B P49286 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAPK1 P28482 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ TSHR P16473 2/20 0.31
▸ USP2 O75604 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ SMN1; SMN2 Q16637 2/20 0.30
▸ POLB P06746 1/20 0.30
▸ KIF11 P52732 1/20 0.30
▸ PDK2 Q15119 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
SCHEMBL13915083 0.92 MEN1 (0.37) MTNR1AMTNR1BMEN1KMT2AMAPK1
SCHEMBL13915151 0.92 ALDH1A1 (0.34) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL11938246 0.89 PAOX (0.33) PAOX
SCHEMBL11938264 0.87 MEN1 (0.35) MEN1KMT2AKIF11
SCHEMBL11938262 0.87 MEN1 (0.35) MEN1KMT2AKIF11
SCHEMBL13915116 0.82 — —
SCHEMBL8056741 0.82 PAOX (0.52) PAOXMTNR1AMTNR1BMEN1KMT2A
SCHEMBL13915159 0.81 TLR2 (0.31) MEN1KMT2A
SCHEMBL13915168 0.81 MEN1 (0.33) MTNR1AMTNR1BMEN1KMT2ATSHR
SCHEMBL13915081 0.81 SMN1; SMN2 (0.30) MTNR1AMTNR1BSMN1; SMN2

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 PAOX 2129/4885MTNR1A 1680/4885MTNR1B 1475/4885

“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.

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