SCHEMBL2222755

SCHEMBL2222755

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.41
PPARA Q07869 4/20 0.41
AKR1C3 P42330 8/20 0.41
AKR1C2 P52895 8/20 0.41
PTGS1 P23219 4/20 0.41
PTGS2 P35354 3/20 0.41
CYP1A2 P05177 2/20 0.41
TSHR P16473 2/20 0.41
CDC42 P60953 1/20 0.41
RAC1 P63000 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
AKR1C1 Q04828 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PPARD Q03181 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
MAPT P10636 2/20 0.34
PTPN7 P35236 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
FFAR1 O14842 1/20 0.34

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
SCHEMBL2223783 0.87 RECQL (0.39) PPARGPPARAAKR1C3AKR1C2PTGS1
SCHEMBL2221493 0.82 NCEH1 (0.48) PPARGPPARAAKR1C3AKR1C2PTGS1
SCHEMBL2221877 0.81 ALDH1A1 (0.45) KDM4EKMT2A
SCHEMBL2222294 0.78 PPARG (0.39) PPARGPPARAAKR1C3AKR1C2PTGS1
SCHEMBL2274656 0.76 CASR (0.31) PPARGPPARAPPARDFFAR1
SCHEMBL8749237 0.73 CYP2A6 (0.61) AKR1C3AKR1C2PTGS1CYP1A2KDM4E
SCHEMBL28034577 0.72 FFAR1 (0.42) AKR1C3AKR1C2PTGS1PTGS2CYP1A2
SCHEMBL1628567 0.71 GAA (0.47) PPARGPPARAPTGS1CYP1A2TSHR
SCHEMBL8892864 0.70 PPARA (0.51) PPARGPPARACYP1A2MAPTMEN1
SCHEMBL11105089 0.70 LDHA (0.45) PPARGPPARA

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 7 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
EP-2512779-A1 SUBSTRATE-BASED ADDITIVE FABRICATION PROCESS DSM IP Assets B.V. (NL) 2012-10-24 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
WO-2011084578-A1 SUBSTRATE-BASED ADDITIVE FABRICATION PROCESS DSM IP ASSETS, B.V. (NL) 2011-07-14 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 PPARG 3476/4885PPARA 3944/4885AKR1C3 251/4885

“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.