SCHEMBL21179480

SCHEMBL21179480

[Na]c1cc2ccccc2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.48
KDM4E B2RXH2 3/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP2A6 P11509 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
FLT3 P36888 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
MGLL Q99685 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TYR P14679 1/20 0.47
DAO P14920 1/20 0.47
AKR1B1 P15121 1/20 0.47
HPGD P15428 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAOA P21397 2/20 0.46
CA2 P00918 2/20 0.45
AGXT P21549 1/20 0.44
CA12 O43570 4/20 0.43

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
SCHEMBL103158 0.74 MAOB (0.63) MAOBKDM4ERAB9AALDH1A1CYP2A6
SCHEMBL30036439 0.74 MAOB (0.63) MAOBKDM4ERAB9AALDH1A1CYP2A6
SCHEMBL31105656 0.71 MAOB (0.71) MAOBKDM4ERAB9AALDH1A1HPGD
SCHEMBL731363 0.71 MAOB (0.71) MAOBKDM4ERAB9AALDH1A1HPGD
SCHEMBL316744 0.70 KDM4E (0.48) MAOBKDM4ERAB9AALDH1A1CYP2A6
SCHEMBL8874655 0.70 KDM4E (0.48) MAOBKDM4ERAB9AALDH1A1CYP2A6
SCHEMBL276909 0.70 CYP2A6 (0.54) MAOBKDM4ERAB9AALDH1A1CYP2A6
SCHEMBL21494529 0.70 KDM4E (0.48) MAOBKDM4ERAB9AALDH1A1CYP2A6
SCHEMBL2057444 0.70 KDM4E (0.48) MAOBKDM4ERAB9AALDH1A1CYP2A6
SCHEMBL12264 0.70 KDM4E (0.48) MAOBKDM4ERAB9AALDH1A1CYP2A6

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 MAOB 1343/4885KDM4E 2475/4885RAB9A 1083/4885

“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.