SCHEMBL3681691

SCHEMBL3681691

Cc1ccc(B(O)OC(C)(C)C(C)(C)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.45
LPL P06858 1/20 0.45
LIPG Q9Y5X9 1/20 0.45
ORAI1 Q96D31 1/20 0.45
ORAI2 Q96SN7 1/20 0.45
ORAI3 Q9BRQ5 1/20 0.45
TRPV6 Q9H1D0 1/20 0.45
TSHR P16473 1/20 0.32
ACHE P22303 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA1 P00915 1/20 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
SCHEMBL14645520 0.90 CA2 (0.41) CA2LPLLIPGORAI1ORAI2
SCHEMBL19433226 0.86 CA2 (0.42) CA2LPLLIPGTSHRCA1
SCHEMBL1181137 0.85 ENPP2 (0.41) CA2TSHRACHEMEN1ALDH1A1
SCHEMBL117688 0.83 ENPP2 (0.43) ORAI1ORAI2ORAI3TRPV6TSHR
SCHEMBL3711217 0.83
SCHEMBL9903022 0.83
SCHEMBL54815 0.83 MAPK1 (0.32) ALDH1A1TDP1
SCHEMBL5510320 0.83 TRPV1 (0.40) CA2ORAI1ORAI2ORAI3TRPV6
SCHEMBL119711 0.82 TRPV6 (0.39) CA2ORAI1ORAI2ORAI3TRPV6
SCHEMBL366006 0.81 CA1 (0.52) CA2ACHETDP1CA1

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-20210070782-A1 METHOD FOR SYNTHESIZING BORONATE ESTER COMPOUND, SODIUM SALT OF BORONATE ESTER COMPOUND, AND METHOD FOR SYNTHESIZING THE SAME KOBELCO ECO-SOLUTIONS CO., LTD. (JP) 2021-03-11 US disclosed
EP-3741764-A1 SYNTHESIS METHOD FOR BORONIC ACID ESTER COMPOUND, AND SODIUM SALT OF BORONIC ACID ESTER COMPOUND AND SYNTHESIS METHOD THEREFOR Kobelco Eco-Solutions Co., Ltd (JP) 2020-11-25 EP disclosed
WO-2019142854-A1 SYNTHESIS METHOD FOR BORONIC ACID ESTER COMPOUND, AND SODIUM SALT OF BORONIC ACID ESTER COMPOUND AND SYNTHESIS METHOD THEREFOR 株式会社神鋼環境ソリューション 2019-07-25 WO disclosed
EP-2070897-B1 METHOD OF RAPID METHYLATION, KIT FOR PREPARING PET TRACER AND METHOD OF PRODUCING PET TRACER RIKEN (JP) 2018-04-18 EP disclosed
US-8288604-B2 Method of rapid methylation, kit for preparing PET tracer and method of producing PET tracer GIFU UNIVERSITY (JP) 2012-10-16 US disclosed
US-20100249477-A1 Method of Rapid Methylation, Kit for Preparing PET Tracer and Method of Producing PET Tracer GIFU UNIVERSITY (JP) 2010-09-30 US disclosed
EP-2070897-A1 METHOD OF RAPID METHYLATION, KIT FOR PREPARING PET TRACER AND METHOD OF PRODUCING PET TRACER Gifu University (JP) 2009-06-17 EP 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-20100249477-A1 Method of Rapid Methylation, Kit for Preparing PET Tracer and Method of Producing PET Tracer DNMT1, MAP2K1, DOT1L CA2 2999/4885LPL 4152/4885LIPG 4023/4885
US-20210070782-A1 METHOD FOR SYNTHESIZING BORONATE ESTER COMPOUND, SODIUM SALT OF BORONATE ESTER COMPOUND, AND METHOD FOR SYNTHESIZING THE SAME BRSK1, BRSK2, BRI3BP CA2 353/4885LPL 2629/4885LIPG 2710/4885

“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.