SCHEMBL2220644

SCHEMBL2220644

CCOc1ccc2ccc(OC(CC)C(=O)OC)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.49
AKR1C2 P52895 2/20 0.49
RECQL P46063 1/20 0.47
PPARG P37231 5/20 0.46
PPARA Q07869 5/20 0.46
PPARD Q03181 2/20 0.46
POLB P06746 2/20 0.43
RAB9A P51151 3/20 0.43
ABL1 P00519 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
AR P10275 1/20 0.41
NPC1 O15118 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
MMP2 P08253 1/20 0.40
MMP13 P45452 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL2224275 0.86 PPARG (0.46) AKR1C3AKR1C2RECQLPPARGPPARA
SCHEMBL2222030 0.85 SMN1; SMN2 (0.59) AKR1C3AKR1C2PPARGPPARAPPARD
SCHEMBL2221538 0.84 PPARG (0.45) AKR1C3AKR1C2RECQLPPARGPPARA
SCHEMBL2225298 0.84 LMNA (0.48) AKR1C3AKR1C2RECQLPPARGPPARA
SCHEMBL2224646 0.81 AKR1C3 (0.45) AKR1C3AKR1C2PPARGPPARAPOLB
SCHEMBL2222832 0.79 PPARG (0.43) AKR1C3AKR1C2RECQLPPARGPPARA
SCHEMBL2224343 0.77 PPARG (0.39) AKR1C3AKR1C2RECQLPPARGPPARA
SCHEMBL2226228 0.76 AKR1C3 (0.41) AKR1C3AKR1C2PPARGPPARAPOLB
SCHEMBL2221584 0.76 AKR1C3 (0.41) AKR1C3AKR1C2PPARGPPARAPOLB
SCHEMBL4954671 0.76 ALDH1A1 (0.55) PPARGPPARAPOLBRAB9ASMN1; SMN2

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 AKR1C3 251/4885AKR1C2 825/4885RECQL 744/4885

“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.