SCHEMBL2223783

SCHEMBL2223783

COC(=O)C(OC)Oc1ccc2ccc(I)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.39
PPARG P37231 4/20 0.39
PPARA Q07869 4/20 0.39
PPARD Q03181 2/20 0.39
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.34
PTGS2 P35354 3/20 0.34
AKR1C3 P42330 3/20 0.34
AKR1C2 P52895 3/20 0.34
PTGS1 P23219 2/20 0.34
CDC42 P60953 1/20 0.34
RAC1 P63000 1/20 0.34
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
ALOX5 P09917 1/20 0.33

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
SCHEMBL2222755 0.87 PPARG (0.41) PPARGPPARAPPARDTDP1KDM4E
SCHEMBL2222265 0.82 NCEH1 (0.47) RECQLPPARGPPARAPPARDTDP1
SCHEMBL2220295 0.81 ALDH1A1 (0.44) KDM4E
SCHEMBL2875622 0.80 ALDH1A1 (0.45) RECQLKDM4E
SCHEMBL2274656 0.78 CASR (0.31) RECQLPPARGPPARAPPARD
SCHEMBL2221599 0.77 HSD11B1 (0.44) RECQLPPARGPPARAPPARDTDP1
SCHEMBL2221330 0.75 PPARG (0.36) RECQLPPARGPPARAPPARDTDP1
SCHEMBL8749237 0.71 CYP2A6 (0.61) KDM4EAKR1C3AKR1C2PTGS1CYP1A2
SCHEMBL11658987 0.70 MAPT (0.50) PPARGPPARAL3MBTL1
SCHEMBL11649357 0.69 TAS1R3 (0.40) RECQLTDP1TSHR

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 RECQL 744/4885PPARG 3476/4885PPARA 3944/4885

“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.