SCHEMBL2221406

SCHEMBL2221406

C#Cc1ccc2ccc(OC(CC)C(=O)O)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
PPARA Q07869 14/20 0.53
PPARG P37231 13/20 0.53
AKR1C3 P42330 4/20 0.41
AKR1C2 P52895 4/20 0.41
AKR1C1 Q04828 1/20 0.41
PTGS1 P23219 1/20 0.41
PPARD Q03181 1/20 0.35

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
SCHEMBL1550691 0.86 SMN1; SMN2 (0.58) SMN1; SMN2PPARAPPARG
SCHEMBL2221549 0.83 PPARG (0.39) SMN1; SMN2PPARAPPARGAKR1C3AKR1C2
SCHEMBL30559867 0.81 PPARG (0.77) SMN1; SMN2PPARAPPARGAKR1C3AKR1C2
SCHEMBL8935913 0.81 PPARG (0.77) SMN1; SMN2PPARAPPARGAKR1C3AKR1C2
SCHEMBL8935921 0.81 PPARG (0.77) SMN1; SMN2PPARAPPARGAKR1C3AKR1C2
SCHEMBL2222030 0.80 SMN1; SMN2 (0.59) SMN1; SMN2PPARAPPARGAKR1C3AKR1C2
SCHEMBL2222296 0.80 SCN9A (0.40) SMN1; SMN2PPARAPPARG
SCHEMBL2222294 0.80 PPARG (0.39) PPARAPPARGAKR1C3AKR1C2AKR1C1
SCHEMBL2221558 0.79 PPARG (0.36) SMN1; SMN2PPARAPPARG
SCHEMBL2223258 0.79 PPARG (0.36) SMN1; SMN2PPARAPPARGAKR1C3AKR1C2

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 SMN1; SMN2 2728/4885PPARA 3944/4885PPARG 3476/4885

“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.