SCHEMBL16096151

SCHEMBL16096151

COCOc1ccc(C=O)c(OCOC)c1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
EGFR P00533 2/20 0.39
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CLCN2 P51788 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
PTPN1 P18031 1/20 0.34
ERN1 O75460 5/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
FGFR1 P11362 1/20 0.33
RAB9A P51151 1/20 0.33
TUBB1 Q9H4B7 1/20 0.32

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
SCHEMBL16096229 0.80 ERN1 (0.42) HPGDERN1RAB9A
SCHEMBL16098163 0.79 ERN1 (0.41) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL4015282 0.77 CA1 (0.45) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL12587498 0.77 ALDH1A1 (0.67) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL12961813 0.77 CA1 (0.41) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL4383966 0.76 ALDH1A1 (0.40) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL31359164 0.76 LMNA (0.36) ALDH1A1MAPTHPGDHTTSMN1; SMN2
SCHEMBL16096242 0.76 TUBB1 (0.35) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL3214106 0.75 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL6753702 0.75 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTKMT2AERN1

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 5 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
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 ALDH1A1 518/4885KDM4E 101/4885MEN1 2626/4885

“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.