SCHEMBL20568246

SCHEMBL20568246

CC(=O)OCc1cc(O)ccc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
CYP3A4 P08684 3/20 0.41
PKM P14618 2/20 0.41
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
CA2 P00918 3/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
NPC1 O15118 1/20 0.36
SERPINE1 P05121 1/20 0.36
BACE1 P56817 1/20 0.36
TP53 P04637 1/20 0.35
CYP1A2 P05177 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
SCHEMBL28049660 0.86 ALDH1A1 (0.43) ALDH1A1CYP3A4PKMHSD17B10KDM4E
SCHEMBL5936414 0.84 CYP3A4 (0.55) ALDH1A1CYP3A4PKMHSD17B10KDM4E
SCHEMBL30881188 0.83 ALDH1A1 (0.41) ALDH1A1CYP3A4PKMHSD17B10KDM4E
SCHEMBL10034916 0.83 ALDH1A1 (0.41) ALDH1A1CYP3A4PKMHSD17B10KDM4E
SCHEMBL14448981 0.83 ALDH1A1 (0.41) ALDH1A1CYP3A4PKMHSD17B10KDM4E
SCHEMBL27613088 0.81 CA12 (0.47) ALDH1A1CYP3A4HSD17B10CA2CA12
SCHEMBL10035065 0.81 ALDH1A1 (0.44) ALDH1A1CYP3A4PKMHSD17B10KDM4E
SCHEMBL14812743 0.79 POLB (0.44) ALDH1A1CYP3A4PKMKDM4EMAPT
SCHEMBL12383683 0.79 ALDH1A1 (0.38) ALDH1A1CYP3A4PKMHSD17B10KDM4E
SCHEMBL409154 0.79 NOTUM (0.47) ALDH1A1CYP3A4PKMHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200190120-A1 PROCESS FOR THE PREPARATION OF 5-(4-CYANOPHENOXY)-1,3-DIHYDRO-1-HYDROXY-[2,1]-BENZOXABOROLE AND POLYMORPHS THEREOF MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2020-06-18 US claimed
WO-2018216032-A1 PROCESS FOR THE PREPARATION OF 5-(4-CYANOPHENOXY)-1,3-DIHYDRO-1-HYDROXY-[2,1]-BENZOXABOROLE AND POLYMORPHS THEREOF MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2018-11-29 WO claimed
US-10865217-B2 Process for the preparation of 5-(4-cyanophenoxy)-1,3-dihydro-1-hydroxy-[2,1]-benzoxaborole and polymorphs thereof MSN LABORATORIES PRIVATE LIMITED, R & D CENTER (IN) 2020-12-15 US disclosed
US-10865217-B2 Process for the preparation of 5-(4-cyanophenoxy)-1,3-dihydro-1-hydroxy-[2,1]-benzoxaborole and polymorphs thereof MSN LABORATORIES PRIVATE LIMITED, R & D CENTER (IN) 2020-12-15 US disclosed
US-20200190120-A1 PROCESS FOR THE PREPARATION OF 5-(4-CYANOPHENOXY)-1,3-DIHYDRO-1-HYDROXY-[2,1]-BENZOXABOROLE AND POLYMORPHS THEREOF MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2020-06-18 US disclosed
US-20200190120-A1 PROCESS FOR THE PREPARATION OF 5-(4-CYANOPHENOXY)-1,3-DIHYDRO-1-HYDROXY-[2,1]-BENZOXABOROLE AND POLYMORPHS THEREOF MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2020-06-18 US disclosed
WO-2018216032-A1 PROCESS FOR THE PREPARATION OF 5-(4-CYANOPHENOXY)-1,3-DIHYDRO-1-HYDROXY-[2,1]-BENZOXABOROLE AND POLYMORPHS THEREOF MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2018-11-29 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 (2 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-10865217-B2 Process for the preparation of 5-(4-cyanophenoxy)-1,3-dihydro-1-hydroxy-[2,1]-benzoxaborole and polymorphs thereof CYP1B1, CYP4B1, CYP1A1 ALDH1A1 114/4885CYP3A4 17/4885PKM 1497/4885
US-20200190120-A1 PROCESS FOR THE PREPARATION OF 5-(4-CYANOPHENOXY)-1,3-DIHYDRO-1-HYDROXY-[2,1]-BENZOXABOROLE AND POLYMORPHS THEREOF CYP1B1, CYP4B1, CYP1A1 ALDH1A1 114/4885CYP3A4 17/4885PKM 1497/4885

“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.