SCHEMBL2220295

SCHEMBL2220295

COC(=O)C(OC)Oc1cnc2ccc(I)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 0.44
F2 P00734 1/20 0.44
GLA P06280 1/20 0.44
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KMT2A Q03164 1/20 0.34
PDGFRB P09619 2/20 0.33
PDGFRA P16234 2/20 0.33
HPGDS O60760 2/20 0.33
MET P08581 5/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32
EGFR P00533 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
AURKA O14965 2/20 0.31
LCK P06239 2/20 0.31
FYN P06241 2/20 0.31
FGFR2 P21802 2/20 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
SCHEMBL2875622 0.91 ALDH1A1 (0.45) ALDH1A1HPGDF2GLAKDM4E
SCHEMBL2221877 0.89 ALDH1A1 (0.45) ALDH1A1HPGDF2GLAKDM4E
SCHEMBL2223783 0.81 RECQL (0.39) KDM4E
SCHEMBL3616021 0.81 ALDH1A1 (0.45) ALDH1A1HPGDF2GLAKDM4E
SCHEMBL2269439 0.81 ALDH1A1 (0.37) ALDH1A1HPGDF2GLAKMT2A
SCHEMBL2878821 0.75 ALDH1A1 (0.40) ALDH1A1HPGDF2GLAKDM4E
SCHEMBL3839079 0.75 ALDH1A1 (0.54) ALDH1A1HPGDF2GLAKDM4E
SCHEMBL2223091 0.73 ALDH1A1 (0.39) ALDH1A1HPGDF2GLAKDM4E
SCHEMBL2226076 0.72 ALDH1A1 (0.37) ALDH1A1HPGDF2GLAKDM4E
SCHEMBL2221580 0.72 ALDH1A1 (0.37) ALDH1A1HPGDF2GLAKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283216-A1 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY 2012-11-08 US disclosed
EP-2516385-A2 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES E. I. du Pont de Nemours and Company (US) 2012-10-31 EP disclosed
WO-2012087372-A1 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-06-28 WO disclosed
WO-2011087837-A9 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-09-09 WO disclosed
WO-2011087837-A2 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-07-21 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-20120283216-A1 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES CBR3, CBR1, Q6ZSR9 ALDH1A1 1771/4885HPGD 4094/4885F2 2650/4885

“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.