SCHEMBL16095731

SCHEMBL16095731

COC(=O)c1c(OC)ccc(COC(C)=O)c1Br

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ DRD2 P14416 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ TSHR P16473 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MAPK10 P53779 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MYC P01106 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CA2 P00918 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
SCHEMBL16094982 0.82 HDAC1 (0.43) SMN1; SMN2HDAC1HDAC6DRD2ALDH1A1
SCHEMBL19602344 0.78 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1TSHRMAPTKMT2A
SCHEMBL19602571 0.77 ALDH1A1 (0.42) ALDH1A1TSHRMAPTKMT2AHSD17B10
SCHEMBL19608383 0.75 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1TSHRMAPTKMT2A
SCHEMBL17311296 0.75 ALDH1A1 (0.35) SMN1; SMN2HDAC1HDAC6ALDH1A1TSHR
SCHEMBL28840713 0.75 MAPT (0.47) SMN1; SMN2HDAC1HDAC6ALDH1A1MAPT
SCHEMBL19602343 0.74 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1TSHRMAPTKMT2A
SCHEMBL31618373 0.74 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1TSHRMAPTKMT2A
SCHEMBL15741667 0.74 MAPT (0.53) SMN1; SMN2HDAC6ALDH1A1TSHRMAPT
SCHEMBL16096788 0.73 NCEH1 (0.42) HDAC1HDAC6ALDH1A1MAPTHSD17B10

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970339-B1 1-HYDROXY-BENZOOXABOROLES AS ANTIPARASITIC AGENTS LILLY CO ELI (US) 2017-08-16 — — EP disclosed
US-9617285-B2 1-hydroxy-benzooxaboroles as antiparasitic agents ELI LILLY AND COMPANY (US) 2017-04-11 — — US disclosed
CN-105051048-B 1-hydroxy-benzoxaboroles as antiparasitic agents 伊莱利利公司 2017-03-15 — — CN disclosed
EP-2970339-A1 1 -HYDROXY-BENZOOXABOROLES AS ANTIPARASITIC AGENTS Eli Lilly and Company (US) 2016-01-20 — — EP disclosed
US-20150353581-A1 1-HYDROXY-BENZOOXABOROLES AS ANTIPARASITIC AGENTS ELI LILLY AND COMPANY (US) 2015-12-10 — — US disclosed
WO-2014149793-A1 1 -HYDROXY-BENZOOXABOROLES AS ANTIPARASITIC AGENTS ELI LILLY AND COMPANY (US) 2014-09-25 — — WO 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-20150353581-A1 1-HYDROXY-BENZOOXABOROLES AS ANTIPARASITIC AGENTS HAO1, CYP8B1, KMO SMN1; SMN2 3969/4885HDAC1 261/4885HDAC6 444/4885

“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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