SCHEMBL20338465

SCHEMBL20338465

CC(C)(C)COB(O)c1cccc(I)c1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.32
ENPP2 Q13822 1/20 0.32
TP53BP1 Q12888 1/20 0.31
APP P05067 1/20 0.31
CYP26B1 Q9NR63 1/20 0.30

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
Ethylene Glycol SCHEMBL28421104 0.76 ENPP2 (0.53) IDO1ENPP2
SCHEMBL22960487 0.75 ENPP2 (0.41) IDO1ENPP2APP
SCHEMBL20338457 0.71 CA1 (0.52) IDO1ENPP2
Ethylene Glycol SCHEMBL28428115 0.71 CA1 (0.46)
SCHEMBL31416487 0.70 ENPP2 (0.41) ENPP2
SCHEMBL31416563 0.69 ORAI1 (0.43)
SCHEMBL20338444 0.69 NUDT1 (0.35)
SCHEMBL787196 0.68 ENPP2 (0.56) ENPP2
SCHEMBL20338440 0.68 ALDH1A1 (0.39) ENPP2
SCHEMBL31416522 0.68 ENPP2 (0.54) ENPP2

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-10364208-B2 Oxidative coupling of aryl boron reagents with SP3-carbon nucleophiles, and ambient decarboxylative arylation of malonate half-esters via oxidative catalysis THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2019-07-30 US claimed
US-20180186721-A1 OXIDATIVE COUPLING OF ARYL BORON REAGENTS WITH SP3-CARBON NUCLEOPHILES, AND AMBIENT DECARBOXYLATIVE ARYLATION OF MALONATE HALF-ESTERS VIA OXIDATIVE CATALYSIS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2018-07-05 US claimed
US-10364208-B2 Oxidative coupling of aryl boron reagents with SP3-carbon nucleophiles, and ambient decarboxylative arylation of malonate half-esters via oxidative catalysis THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2019-07-30 US disclosed
US-20180186721-A1 OXIDATIVE COUPLING OF ARYL BORON REAGENTS WITH SP3-CARBON NUCLEOPHILES, AND AMBIENT DECARBOXYLATIVE ARYLATION OF MALONATE HALF-ESTERS VIA OXIDATIVE CATALYSIS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2018-07-05 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 (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-10364208-B2 Oxidative coupling of aryl boron reagents with SP3-carbon nucleophiles, and ambient decarboxylative arylation of malonate half-esters via oxidative catalysis SOD1, AOC3, CBR3 IDO1 2136/4885ENPP2 2358/4885TP53BP1 3969/4885
US-20180186721-A1 OXIDATIVE COUPLING OF ARYL BORON REAGENTS WITH SP3-CARBON NUCLEOPHILES, AND AMBIENT DECARBOXYLATIVE ARYLATION OF MALONATE HALF-ESTERS VIA OXIDATIVE CATALYSIS SOD1, AOC3, CBR3 IDO1 2136/4885ENPP2 2358/4885TP53BP1 3969/4885

“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.