SCHEMBL9917066

SCHEMBL9917066

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

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.43
▸ TSHR P16473 1/20 0.39
▸ ABCB1 P08183 11/20 0.39
▸ CHRNA7 P36544 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ BCHE P06276 2/20 0.37

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
SCHEMBL9917065 0.86 GAA (0.42) GAATSHRABCB1CHRNA7MEN1
SCHEMBL9917067 0.85 GAA (0.41) GAATSHRABCB1CHRNA7MEN1
SCHEMBL26268684 0.78 ABCB1 (0.47) GAAABCB1
SCHEMBL14769874 0.74 GAA (0.40) GAATSHRABCB1MEN1KMT2A
SCHEMBL9919246 0.74 GAA (0.40) GAAABCB1LMNA
SCHEMBL16063058 0.73 ABCB1 (0.40) GAAABCB1LMNA
SCHEMBL9919245 0.73 ABCB1 (0.40) GAAABCB1LMNA
SCHEMBL16063060 0.72 ABCB1 (0.44) ABCB1
SCHEMBL28502618 0.72 GAA (0.43) GAATSHRABCB1CHRNA7MEN1
SCHEMBL14769891 0.72 GAA (0.43) GAATSHRABCB1CHRNA7MEN1

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 614/4885TSHR 3802/4885ABCB1 163/4885

“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.

Send feedback