SCHEMBL6482409

SCHEMBL6482409

CC(C)(C)OC(=O)[C@@H](O)C(=O)CCCOC(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.54
LMNA P02545 1/20 0.48
ADRB2 P07550 2/20 0.45
ADRB1 P08588 2/20 0.45
ADRB3 P13945 2/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
TSHR P16473 2/20 0.41
HSD17B10 Q99714 1/20 0.41
AAK1 Q2M2I8 1/20 0.41
SCN1A P35498 2/20 0.39
SCN2A Q99250 2/20 0.39
SCN3A Q9NY46 2/20 0.39
SLC6A3 Q01959 2/20 0.39
HTR1A P08908 1/20 0.39
CYP2D6 P10635 1/20 0.39
SCN5A Q14524 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC6A2 P23975 1/20 0.39

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
SCHEMBL27541034 0.74 TDP1 (0.68) TDP1LMNAADRB2ADRB1ADRB3
SCHEMBL4222754 0.73 TDP1 (0.78) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL25432766 0.73 TDP1 (0.61) TDP1LMNAADRB2ADRB1ADRB3
SCHEMBL416566 0.73 TDP1 (0.91) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL223441 0.73 TDP1 (1.00) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL21113688 0.72 TDP1 (0.70) TDP1LMNAADRB2ADRB1ADRB3
SCHEMBL1067976 0.72 TDP1 (0.55) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL25432720 0.71 LMNA (0.51) TDP1LMNAADRB2ADRB1ADRB3
SCHEMBL15862448 0.71 TDP1 (0.68) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL21986662 0.71 TDP1 (0.68) TDP1LMNAALDH1A1MAPK1HIF1A

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-20050080277-A1 Process for preparing optically active 2-[6-(hydroxy-methyl)-1,3-dioxan-4-yl] acetic acid derivatives KANEKA CORPORATION (JP) 2005-04-14 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-20050080277-A1 Process for preparing optically active 2-[6-(hydroxy-methyl)-1,3-dioxan-4-yl] acetic acid derivatives HAAO, APEH, HPD TDP1 3551/4885LMNA 1972/4885ADRB2 1596/4885

“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.