SCHEMBL5933992

SCHEMBL5933992

COC(=O)Oc1c(CCCCCC(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.47
GAA P10253 1/20 0.41
POLB P06746 3/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CYP2C19 P33261 1/20 0.35
FUT7 Q11130 1/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MITF O75030 1/20 0.34
CCR6 P51684 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ITGA4 P13612 1/20 0.34

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
SCHEMBL29359044 1.00 TDP1 (0.47) TDP1GAAPOLBKMT2ALMNA
SCHEMBL7198081 0.85 TDP1 (0.39) TDP1GAAPOLBKMT2ALMNA
SCHEMBL7198085 0.85 TDP1 (0.39) TDP1GAAPOLBKMT2ALMNA
SCHEMBL17965860 0.79 GPR35 (0.48) TDP1POLBKMT2ALMNAMEN1
SCHEMBL30628004 0.79 GPR35 (0.48) TDP1POLBKMT2ALMNAMEN1
SCHEMBL6384309 0.78 TDP1 (0.65) TDP1POLBKMT2ALMNAMEN1
SCHEMBL11648983 0.74 ALDH1A1 (0.49) TDP1POLBKMT2ALMNAMEN1
SCHEMBL29370576 0.74 TDP1 (0.65) TDP1POLBKMT2ALMNAMEN1
SCHEMBL11119806 0.73 ALDH1A1 (0.50) TDP1POLBKMT2ALMNAMEN1
SCHEMBL11656699 0.73 TDP1 (0.45) TDP1POLBKMT2ALMNAMEN1

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-20060276339-A1 Methods and compositions for increasing the efficacy of biologically-active ingredients BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2006-12-07 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-20060276339-A1 Methods and compositions for increasing the efficacy of biologically-active ingredients ENPP1, ENPP3, SMPD1 TDP1 696/4885GAA 111/4885POLB 2397/4885

“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.