SCHEMBL22684752

SCHEMBL22684752

Cc1ccccc1B(O)OC(C)(C)C(C)(C)O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.33
ORAI1 Q96D31 1/20 0.32
ORAI2 Q96SN7 1/20 0.32
ORAI3 Q9BRQ5 1/20 0.32
TSHR P16473 1/20 0.31
ACHE P22303 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
SCHEMBL5899432 0.84 TSHR (0.36) ENPP2ORAI1ORAI2ORAI3TSHR
SCHEMBL9994954 0.83 CD44 (0.36) TSHR
SCHEMBL5952272 0.81 ENPP2 (0.32) ENPP2ORAI1ORAI2ORAI3
SCHEMBL3426496 0.81 ALDH1A1 (0.38) ENPP2ORAI1ORAI2ORAI3TSHR
SCHEMBL4520012 0.81 ENPP2 (0.32) ENPP2ORAI1ORAI2ORAI3TSHR
SCHEMBL840950 0.81 ENPP2 (0.32) ENPP2ORAI1ORAI2ORAI3
SCHEMBL3465794 0.79 ENPP2 (0.56) ENPP2ORAI1ORAI2ORAI3TSHR
SCHEMBL3521758 0.78 KDM4E (0.34) ENPP2ORAI1ORAI2ORAI3
SCHEMBL5953116 0.78 ALDH1A1 (0.36) ENPP2TSHR
SCHEMBL584051 0.78 ALDH1A1 (0.33) ENPP2ORAI1ORAI2ORAI3

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 3 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

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 ENPP2 3968/4885ORAI1 3430/4885ORAI2 989/4885

“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.