SCHEMBL16101207

SCHEMBL16101207

COc1cc(O)cc2c1COB2O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
PDE4A P27815 5/20 0.40
PDE4B Q07343 5/20 0.40
PDE4C Q08493 5/20 0.40
PDE4D Q08499 5/20 0.40
CA1 P00915 6/20 0.38
CA2 P00918 6/20 0.38
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
PTGS2 P35354 2/20 0.37
ALOX5 P09917 1/20 0.37
MAOB P27338 1/20 0.35
PDE3A Q14432 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 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
SCHEMBL10269072 0.83 PDE4A (0.47) CYP3A4PDE4APDE4BPDE4CPDE4D
SCHEMBL16101959 0.77 CA1 (0.43) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL16101233 0.77 PDE4A (0.36) CYP3A4PDE4APDE4BPDE4CPDE4D
SCHEMBL18269861 0.77 PDE4B (0.40) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL17311327 0.75 PDE4B (0.39) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL16101584 0.74 KLK5 (0.43) MAPTMAOB
SCHEMBL18269858 0.70 PDE4B (0.47) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL20607947 0.70 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL16100707 0.70 ESR1 (0.35) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL18269860 0.67 PDE4B (0.36) PDE4APDE4BPDE4CPDE4DCA1

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 CYP3A4 939/4885MAPT 3959/4885PDE4A 4247/4885

“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.