SCHEMBL2274656

SCHEMBL2274656

COCC(C)(C)NC(=O)C(OC)Oc1ccc2ccc(I)cc2c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.31
PPARG P37231 3/20 0.31
PPARA Q07869 3/20 0.31
RECQL P46063 1/20 0.31
FFAR1 O14842 1/20 0.30
PPARD Q03181 1/20 0.30
RAPGEF3 O95398 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
SCHEMBL2221886 0.86 LMNA (0.38)
SCHEMBL2221859 0.84 SCN9A (0.32) CASRPPARGPPARAFFAR1PPARD
SCHEMBL13584104 0.84 FFAR1 (0.33) CASRPPARGPPARAFFAR1PPARD
SCHEMBL2223783 0.78 RECQL (0.39) PPARGPPARARECQLPPARD
SCHEMBL13077745 0.77 ALDH1A1 (0.47) PPARGPPARA
SCHEMBL2222755 0.76 PPARG (0.41) PPARGPPARAFFAR1PPARD
SCHEMBL3616459 0.75 ALDH1A1 (0.37)
SCHEMBL14773038 0.75 ALDH1A1 (0.37)
SCHEMBL2223188 0.74 LMNA (0.42)
SCHEMBL2226076 0.73 ALDH1A1 (0.37) PPARG

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-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-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 CASR 3257/4885PPARG 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.