SCHEMBL9917067

SCHEMBL9917067

CC[C@]1(C)O[C@@H](OC)[C@H](F)C1OC(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.41
▸ ABCB1 P08183 13/20 0.38
▸ TSHR P16473 2/20 0.38
▸ CHRNA7 P36544 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL9919245 0.88 ABCB1 (0.40) GAAABCB1
SCHEMBL16063058 0.88 ABCB1 (0.40) GAAABCB1
SCHEMBL9917066 0.85 GAA (0.43) GAAABCB1TSHRCHRNA7MEN1
SCHEMBL9917065 0.84 GAA (0.42) GAAABCB1TSHRCHRNA7MEN1
SCHEMBL26268684 0.81 ABCB1 (0.47) GAAABCB1
SCHEMBL16063060 0.78 ABCB1 (0.44) ABCB1
SCHEMBL16063065 0.76 MAPK1 (0.35) ABCB1TSHR
SCHEMBL6099624 0.75 ABCB1 (0.43) GAAABCB1
SCHEMBL16063068 0.75 ABCB1 (0.41) GAAABCB1
SCHEMBL6099628 0.75 ABCB1 (0.43) GAAABCB1

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-20120149657-A1 2'-FLUORO ARABINO NUCLEOSIDES AND USE THEREOF SOUTHERN RESEARCH INSTITUTE (AL) 2012-06-14 — — 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-20120149657-A1 2'-FLUORO ARABINO NUCLEOSIDES AND USE THEREOF SLC29A2, DUT, SLC29A1 GAA 614/4885ABCB1 163/4885TSHR 3802/4885

“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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