SCHEMBL17397884

SCHEMBL17397884

CC1(C)OB(c2c(C=O)ccc3c2OCO3)OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ ERN1 O75460 1/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ NQO2 P16083 2/20 0.32
▸ TXNRD1 Q16881 1/20 0.32
▸ TXNRD3 Q86VQ6 1/20 0.32
▸ TXNRD2 Q9NNW7 1/20 0.32
▸ CYP19A1 P11511 1/20 0.31
▸ AOC3 Q16853 4/20 0.31

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
SCHEMBL17397885 0.88 KDM4E (0.33) ALDH1A1HSD17B10HPGDERN1
SCHEMBL20861759 0.79 GSK3B (0.33) GSK3BALDH1A1TDP1HSD17B10MAPT
SCHEMBL15077376 0.77 MEN1 (0.39) ALDH1A1TDP1LMNAERN1KMT2A
SCHEMBL20861758 0.77 ERN1 (0.35) ERN1
SCHEMBL983266 0.73 AOC3 (0.50) ALDH1A1HSD17B10LMNAHPGDMAPT
SCHEMBL17397902 0.73 LMNA (0.47) ALDH1A1TDP1HSD17B10LMNAHPGD
SCHEMBL12665647 0.72 ALDH1A1 (0.46) ALDH1A1TDP1LMNAERN1KMT2A
SCHEMBL29458861 0.72 ALDH1A1 (0.46) ALDH1A1TDP1LMNAERN1KMT2A
SCHEMBL983074 0.71 AOC3 (0.40) ALDH1A1LMNAHPGDMAPTAOC3
SCHEMBL24456050 0.71 NQO2 (0.34) GSK3BNQO2TXNRD1TXNRD3TXNRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3164404-B1 TRICYCLIC BENZOXABOROLES AS ANTIBACTERIAL AGENTS DAIICHI SANKYO CO LTD (JP) 2019-04-03 — — EP disclosed
US-9944660-B2 Tricyclic benzoxaboroles as antibacterial agents DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-04-17 — — US disclosed
US-9944660-B2 Tricyclic benzoxaboroles as antibacterial agents DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-04-17 — — US disclosed
US-9944660-B2 Tricyclic benzoxaboroles as antibacterial agents DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-04-17 — — US disclosed
US-20170174709-A1 TRICYCLIC BENZOXABOROLES AS ANTIBACTERIAL AGENTS DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-06-22 — — US disclosed
US-20170174709-A1 TRICYCLIC BENZOXABOROLES AS ANTIBACTERIAL AGENTS DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-06-22 — — US disclosed
US-20170174709-A1 TRICYCLIC BENZOXABOROLES AS ANTIBACTERIAL AGENTS DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-06-22 — — US disclosed
EP-3164404-A1 TRICYCLIC BENZOXABOROLES AS ANTIBACTERIAL AGENTS DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-05-10 — — EP disclosed
WO-2016001834-A1 TRICYCLIC BENZOXABOROLES AS ANTIBACTERIAL AGENTS DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-01-07 — — WO disclosed
WO-2016001834-A1 TRICYCLIC BENZOXABOROLES AS ANTIBACTERIAL AGENTS DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-01-07 — — 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-20170174709-A1 TRICYCLIC BENZOXABOROLES AS ANTIBACTERIAL AGENTS REN, ALPI, IKBKE GSK3B 523/4885ALDH1A1 2153/4885TDP1 3949/4885

“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