SCHEMBL2923312

SCHEMBL2923312

c1ccc(CCC2=NOC(CCc3ccccc3)C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
CYP3A4 P08684 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
DRD4 P21917 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
3-(4-Hydroxy-Phenethyl)-5-Phenethyl-4,5-Dihydro-Isoxazole (Enantiomeric Mix) SCHEMBL2923098 0.91 DRD2 (0.47) SLC6A2SLC6A4SLC6A3PPARGPPARA
SCHEMBL2920823 0.89 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3PPARGPPARA
3-(3-Hydroxy-Phenethyl)-5-Phenethyl-4,5-Dihydro-Isoxazole (Enantiomeric Mix) SCHEMBL2912741 0.88 OPRK1 (0.45) PPARGPPARA
SCHEMBL28145201 0.87 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3PPARGPPARA
3-(2-Hydroxy-Phenethyl)-5-Phenethyl-4,5-Dihydro-Isoxazole (Enantiomeric Mix) SCHEMBL2920016 0.86 DRD1 (0.39) SLC6A2SLC6A4SLC6A3PPARGPPARA
SCHEMBL28774983 0.85 TDP1 (0.38)
SCHEMBL28290921 0.82 PPARG (0.40) SLC6A2SLC6A4SLC6A3PPARGPPARA
SCHEMBL12896551 0.80 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3PPARGPPARA
SCHEMBL12896305 0.80 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3PPARGPPARA
SCHEMBL12896550 0.80 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3PPARGPPARA

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-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

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 SLC6A2 4100/4885SLC6A4 2156/4885SLC6A3 3325/4885

“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.