SCHEMBL4590214

SCHEMBL4590214

Oc1ccccc1B1OCCO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.39
CA1 P00915 4/20 0.39
CA12 O43570 2/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 4/20 0.39
ALOX15 P16050 3/20 0.39
LMNA P02545 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
CA4 P22748 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
EGFR P00533 2/20 0.39
FYN P06241 2/20 0.39
MMP9 P14780 2/20 0.39
RECQL P46063 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
GMNN O75496 1/20 0.39

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
SCHEMBL31554010 1.00 CA2 (0.39) CA2CA1CA12CA9ALDH1A1
SCHEMBL17236446 0.91 CA2 (0.37) CA2CA1CA12CA9ALDH1A1
SCHEMBL3197464 0.79 TRPA1 (0.43) CA2CA1CA12CA9ALDH1A1
SCHEMBL26146898 0.78 ALDH1A1 (0.39) CA2CA1CA12CA9ALDH1A1
SCHEMBL3220980 0.78 HPGD (0.33) CA2CA1CA12CA9ALDH1A1
SCHEMBL3187595 0.75 CA12 (0.40) CA2CA1CA12CA9ALDH1A1
SCHEMBL18124824 0.73 CA1 (0.39) CA2CA1CA12CA9ORAI1
SCHEMBL6693267 0.73 ACHE (0.39) CA2CA1CA12CA9ALDH1A1
SCHEMBL3179138 0.73 CYP3A4 (0.39) CA2CA1CA12CA9ALDH1A1
SCHEMBL28007709 0.73 CA1 (0.35) CA2CA1CA12CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210214507-A1 BORONIC ACID MONOMERS AND METHODS OF MAKING BORONIC ACID MONOMERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2021-07-15 US disclosed
US-11001675-B2 Boronic acid monomers and methods of making boronic acid monomers UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2021-05-11 US disclosed
US-20200071466-A1 BORONIC ACID MONOMERS AND METHODS OF MAKING BORONIC ACID MONOMERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2020-03-05 US disclosed
WO-2008059259-A2 ANTICANCER COMPOUNDS WITH A BENZO ( 1, 2, 4 ) TRIAZIN-3YL-AMINE CORE SENTINEL ONCOLOGY LIMITED (GB) 2008-05-22 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-20210214507-A1 BORONIC ACID MONOMERS AND METHODS OF MAKING BORONIC ACID MONOMERS MMAB, ME1, BPGM CA2 227/4885CA1 455/4885CA12 428/4885
US-11001675-B2 Boronic acid monomers and methods of making boronic acid monomers MMAB, ME1, BPGM CA2 227/4885CA1 455/4885CA12 428/4885

“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.