SCHEMBL17010281

SCHEMBL17010281

COc1cc(Cl)cc(C=O)c1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 8/20 0.51
ALDH1A1 P00352 7/20 0.38
KDM4E B2RXH2 3/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PRKDC P78527 2/20 0.35
HPGD P15428 3/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 2/20 0.33
TRPV4 Q9HBA0 1/20 0.33
EGFR P00533 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CSF1R P07333 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
SCHEMBL460368 0.86 LMNA (0.40) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL31035378 0.83 ERN1 (0.51) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL1506041 0.80 EGFR (0.36) ERN1TDP1GAATRPV4EGFR
SCHEMBL31048110 0.80 EGFR (0.36) ERN1TDP1GAATRPV4EGFR
SCHEMBL469425 0.79 ALDH1A1 (0.35) ERN1ALDH1A1KDM4ETDP1GAA
SCHEMBL30916655 0.79 MAP3K14 (0.36) ERN1KDM4ETRPV4EGFRMAPT
SCHEMBL13494621 0.79 MAP3K14 (0.36) ERN1KDM4ETRPV4EGFRMAPT
SCHEMBL26132427 0.78 EGFR (0.39) ERN1TRPV4EGFRCSF1R
SCHEMBL24062034 0.77 ALDH1A1 (0.44) ALDH1A1KDM4ETSHRTDP1HPGD
SCHEMBL3446606 0.77 ERN1 (0.49) ERN1ALDH1A1KDM4ETSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190040087-A1 MICROBIOCIDALLY ACTIVE BENZOXABOROLES SYNGENTA PARTICIPATIONS AG (CH) 2019-02-07 US disclosed
US-20190040087-A1 MICROBIOCIDALLY ACTIVE BENZOXABOROLES SYNGENTA PARTICIPATIONS AG (CH) 2019-02-07 US disclosed
US-10040806-B2 Microbiocidally active benzoxaboroles SYNGENTA PARTICIPATIONS AG (CH) 2018-08-07 US disclosed
US-10040806-B2 Microbiocidally active benzoxaboroles SYNGENTA PARTICIPATIONS AG (CH) 2018-08-07 US disclosed
US-10040806-B2 Microbiocidally active benzoxaboroles SYNGENTA PARTICIPATIONS AG (CH) 2018-08-07 US disclosed
EP-3107921-A1 MICROBIOCIDALLY ACTIVE BENZOXABOROLES Syngenta Participations AG (CH) 2016-12-28 EP disclosed
US-20160347773-A1 MICROBIOCIDALLY ACTIVE BENZOXABOROLES SYNGENTA PARTICIPATIONS AG (CH) 2016-12-01 US disclosed
US-20160347773-A1 MICROBIOCIDALLY ACTIVE BENZOXABOROLES SYNGENTA PARTICIPATIONS AG (CH) 2016-12-01 US disclosed
US-20160347773-A1 MICROBIOCIDALLY ACTIVE BENZOXABOROLES SYNGENTA PARTICIPATIONS AG (CH) 2016-12-01 US disclosed
WO-2015121442-A1 MICROBIOCIDALLY ACTIVE BENZOXABOROLES SYNGENTA PARTICIPATIONS AG (CH) 2015-08-20 WO disclosed
WO-2015121442-A1 MICROBIOCIDALLY ACTIVE BENZOXABOROLES SYNGENTA PARTICIPATIONS AG (CH) 2015-08-20 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 (3 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-20190040087-A1 MICROBIOCIDALLY ACTIVE BENZOXABOROLES MPO, BROX, MANBA ERN1 3441/4885ALDH1A1 1549/4885KDM4E 3443/4885
US-20160347773-A1 MICROBIOCIDALLY ACTIVE BENZOXABOROLES MPO, BROX, MANBA ERN1 3441/4885ALDH1A1 1549/4885KDM4E 3443/4885
US-10040806-B2 Microbiocidally active benzoxaboroles MPO, BROX, MANBA ERN1 3441/4885ALDH1A1 1549/4885KDM4E 3443/4885

“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.