SCHEMBL21179481

SCHEMBL21179481

[Na]c1occ2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
HSD17B10 Q99714 5/20 0.39
CYP2A6 P11509 5/20 0.39
TSHR P16473 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
HPRT1 P00492 1/20 0.36
CYP1A2 P05177 4/20 0.33
HPGD P15428 2/20 0.33
ALOX12 P18054 1/20 0.33
HIF1A Q16665 1/20 0.33
CYP1B1 Q16678 1/20 0.33
THRB P10828 1/20 0.33
POLB P06746 3/20 0.32
PARP1 P09874 2/20 0.32
CYP3A4 P08684 1/20 0.32
KEAP1 Q14145 1/20 0.32
PTPN1 P18031 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL6001561 0.73 ALDH1A1 (0.38) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL276956 0.70 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL1097671 0.70 CYP2A6 (0.42) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL2012336 0.70 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL1605255 0.70 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL2008998 0.70 ALDH1A1 (0.42) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL286416 0.70 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL4897405 0.70 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL4079696 0.70 CYP2A6 (0.42) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL28471616 0.70 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP2A6TSHRTDP1

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-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
CN-111801335-A Synthesis method of boronic acid ester compound, sodium salt of boronic acid ester compound and synthesis method thereof 株式会社神钢环境舒立净 2020-10-20 CN 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

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-20210070782-A1 METHOD FOR SYNTHESIZING BORONATE ESTER COMPOUND, SODIUM SALT OF BORONATE ESTER COMPOUND, AND METHOD FOR SYNTHESIZING THE SAME BRSK1, BRSK2, BRI3BP ALDH1A1 3582/4885HSD17B10 960/4885CYP2A6 1680/4885

“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.