SCHEMBL2923116

SCHEMBL2923116

Fc1cccc(CC2=NOC(CCc3ccccc3)C2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
AKR1B1 P15121 1/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
P2RX7 Q99572 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
DRD4 P21917 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL2920823 0.86 SLC6A2 (0.44) PPARGPPARADRD4SLC6A2SLC6A4
SCHEMBL2924275 0.81 SLC6A4 (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL2919760 0.80 PPARG (0.57) PPARGPPARA
SCHEMBL2923312 0.79 SLC6A2 (0.45) PPARGPPARADRD4SLC6A2SLC6A4
SCHEMBL28145201 0.76 SLC6A2 (0.43) PPARGPPARADRD4SLC6A2SLC6A4
3-(3-Hydroxy-Phenethyl)-5-Phenethyl-4,5-Dihydro-Isoxazole (Enantiomeric Mix) SCHEMBL2912741 0.74 OPRK1 (0.45) PPARGPPARA
SCHEMBL2920321 0.72
3-(4-Hydroxy-Phenethyl)-5-Phenethyl-4,5-Dihydro-Isoxazole (Enantiomeric Mix) SCHEMBL2923098 0.72 DRD2 (0.47) PPARGPPARADRD4SLC6A2SLC6A4
SCHEMBL12896551 0.70 SLC6A2 (0.45) PPARGPPARADRD4SLC6A2SLC6A4
SCHEMBL12896305 0.70 SLC6A2 (0.45) PPARGPPARADRD4SLC6A2SLC6A4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267784-A1 NOVEL 4,5-DIHYDROISOXAZOLES WITH ESTROGENIC ACTIVITY PULKKINEN JUHA 2010-10-21 US disclosed
US-20100267784-A1 NOVEL 4,5-DIHYDROISOXAZOLES WITH ESTROGENIC ACTIVITY PULKKINEN JUHA 2010-10-21 US disclosed
US-20100267784-A1 NOVEL 4,5-DIHYDROISOXAZOLES WITH ESTROGENIC ACTIVITY PULKKINEN JUHA 2010-10-21 US disclosed
EP-2222653-A1 NOVEL 4,5-DIHYDROISOXAZOLES WITH ESTROGENIC ACTIVITY Pulkkinen, Juha (FI) 2010-09-01 EP disclosed
WO-2009066009-A1 NOVEL 4,5-DIHYDROISOXAZOLES WITH ESTROGENIC ACTIVITY PULKKINEN JUHA (FI) 2009-05-28 WO disclosed
WO-2009066009-A1 NOVEL 4,5-DIHYDROISOXAZOLES WITH ESTROGENIC ACTIVITY PULKKINEN JUHA (FI) 2009-05-28 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-20100267784-A1 NOVEL 4,5-DIHYDROISOXAZOLES WITH ESTROGENIC ACTIVITY ESR2, GPER1, CYP19A1 PPARG 140/4885PPARA 290/4885AKR1B1 512/4885

“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.