SCHEMBL13080433

SCHEMBL13080433

C[C@]1(OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)OC(OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
ABCB1 P08183 9/20 0.39
TSHR P16473 4/20 0.38
PTGES2 Q9H7Z7 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC43A1 O75387 1/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
CHRNA7 P36544 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35

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
SCHEMBL12966926 1.00 GAA (0.42) GAAABCB1TSHRPTGES2TDP1
SCHEMBL13965711 1.00 GAA (0.42) GAAABCB1TSHRPTGES2TDP1
SCHEMBL15241392 0.83 LGALS9 (0.44) GAAABCB1TSHRTDP1LMNA
SCHEMBL264538 0.83 GAA (0.39) GAAABCB1TSHRTDP1LMNA
SCHEMBL16647467 0.83 LGALS9 (0.44) GAAABCB1TSHRTDP1LMNA
SCHEMBL14929034 0.83 GAA (0.39) GAAABCB1TSHRTDP1LMNA
SCHEMBL18561533 0.83 GAA (0.39) GAAABCB1TSHRTDP1LMNA
SCHEMBL15908419 0.83 GAA (0.39) GAAABCB1TSHRTDP1LMNA
SCHEMBL21418908 0.81 ALDH1A1 (0.49) GAATDP1LMNAKMT2AMEN1
SCHEMBL21418911 0.81 ALDH1A1 (0.49) GAATDP1LMNAKMT2AMEN1

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-20100291031-A2 BICYCLIC NUCLEOSIDES AND NUCLEOTIDES AS THERAPEUTIC AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2010-11-18 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-20100291031-A2 BICYCLIC NUCLEOSIDES AND NUCLEOTIDES AS THERAPEUTIC AGENTS SLC29A2, NT5C2, NUDT1 GAA 799/4885ABCB1 144/4885TSHR 4431/4885

“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.