SCHEMBL2220472

SCHEMBL2220472

CCc1ccc2ccc(OC(CC)C(=O)NC(C)(C)COC)cc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.38
PPARA Q07869 5/20 0.38
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2A6 P11509 1/20 0.35
PTGS1 P23219 1/20 0.35
CASR P41180 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 1/20 0.34
MMP1 P03956 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
MAOA P21397 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
SCHEMBL13583964 0.88 PPARG (0.38) PPARGPPARAAKR1C3AKR1C2SMN1; SMN2
SCHEMBL2222286 0.87 LMNA (0.40) PPARGPPARAAKR1C3AKR1C2SMN1; SMN2
SCHEMBL2220493 0.84 PPARA (0.36) PPARGPPARAAKR1C3AKR1C2PTGS1
SCHEMBL13583861 0.84 PPARG (0.36) PPARGPPARAAKR1C3AKR1C2PTGS1
SCHEMBL2222766 0.84 PPARG (0.36) PPARGPPARAAKR1C3AKR1C2PTGS1
SCHEMBL2221538 0.80 PPARG (0.45) PPARGPPARAAKR1C3AKR1C2CYP1A2
SCHEMBL2270747 0.79 CA1 (0.35) PPARGPPARAAKR1C3AKR1C2SMN1; SMN2
SCHEMBL2222560 0.79 LMNA (0.37) PPARGPPARASMN1; SMN2TSHRLMNA
SCHEMBL2222036 0.77 AKR1C3 (0.46) PPARGPPARAAKR1C3AKR1C2PTGS1
SCHEMBL2223492 0.77 SMN1; SMN2 (0.57) PPARGPPARAAKR1C3AKR1C2CYP1A2

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-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
WO-2011084316-A2 FORMULATIONS AND METHODS FOR CONTROLLING MDI PARTICLE SIZE DELIVERY 3M INNOVATIVE PROPERTIES COMPANY (US) 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.