SCHEMBL7249379

SCHEMBL7249379

CC1(C)OB(c2ccc([N+](=O)[O-])cc2B2OC(C)(C)C(C)(C)O2)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
TDP1 Q9NUW8 5/20 0.43
TSHR P16473 5/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CYP3A4 P08684 3/20 0.41
GPR35 Q9HC97 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
TXNRD1 Q16881 1/20 0.40
TXNRD3 Q86VQ6 1/20 0.40
TXNRD2 Q9NNW7 1/20 0.40
LMNA P02545 1/20 0.39
HSD17B10 Q99714 2/20 0.39
ACHE P22303 2/20 0.38

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
SCHEMBL30236601 0.87 ALDH1A1 (0.53) ALDH1A1TDP1TSHRCA12CA1
SCHEMBL1897857 0.87 ALDH1A1 (0.53) ALDH1A1TDP1TSHRCA12CA1
SCHEMBL29687732 0.87 ALDH1A1 (0.53) ALDH1A1TDP1TSHRCA12CA1
SCHEMBL527946 0.87 ALDH1A1 (0.53) ALDH1A1TDP1TSHRCA12CA1
SCHEMBL16128763 0.85 HSD17B10 (0.51) ALDH1A1TDP1TSHRCA12CA1
SCHEMBL15974099 0.85 ALDH1A1 (0.49) ALDH1A1TDP1TSHRCA12CA1
SCHEMBL18117631 0.85 ALDH1A1 (0.41) ALDH1A1TDP1TSHRCA12CA1
SCHEMBL2649866 0.85 ALDH1A1 (0.53) ALDH1A1TDP1TSHRCA12CA1
SCHEMBL18797069 0.85 CYP3A4 (0.51) ALDH1A1TDP1TSHRCYP3A4GPR35
SCHEMBL14746570 0.85 HSD17B10 (0.51) ALDH1A1TDP1TSHRGPR35MAPK1

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-6630577-B2 Useful for producing bioconjugates PROLINX, INC. 2003-10-07 US disclosed
EP-1264833-A2 1,2-Phenylenediboronic acid reagents and complexes PROLINX, INC. (US) 2002-12-11 EP disclosed
US-20020038004-A1 1,2-phenylenediboronic acid reagents and complexes PROLINX, INC. 2002-03-28 US 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-20020038004-A1 1,2-phenylenediboronic acid reagents and complexes BCR, MGST1, SULT1E1 ALDH1A1 526/4885TDP1 4196/4885TSHR 775/4885

“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.