SCHEMBL2923074

SCHEMBL2923074

Oc1ccc(CC2=NOC(c3cccc(O)c3)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.42
DRD3 P35462 5/20 0.39
DRD2 P14416 1/20 0.39
BCHE P06276 1/20 0.38
DRD1 P21728 1/20 0.38
PPARG P37231 1/20 0.36
CYP17A1 P05093 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 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
SCHEMBL2922517 0.92 DRD2 (0.42) CYP19A1DRD3DRD2DRD1PPARG
SCHEMBL2924437 0.87 TSHR (0.46) CYP19A1PPARGCYP3A4ESR1ESR2
3-(3-(3-(4-Hydroxyphenyl)Propyl)-4,5-Dihydroisoxazol-5-Yl)Phenol (Enantiomeric Mix) SCHEMBL2924055 0.86 CYP19A1 (0.40) CYP19A1DRD3DRD2BCHEDRD1
SCHEMBL2919709 0.76 TSHR (0.47) PPARG
3-[3-(4-Hydroxy-Phenyl)-Propyl]-5-Phenyl-4,5-Dihydro-Isoxazole (Enantiomeric Mix) SCHEMBL2912343 0.73 TSHR (0.43) PPARG
SCHEMBL14149898 0.73 ESR1 (0.32) ESR1ESR2
SCHEMBL14149868 0.68 ESR1 (0.30) ESR1
Resorcinol SCHEMBL10603853 0.66 ESR1 (0.70) CYP19A1DRD2DRD1CYP17A1CYP3A4
SCHEMBL5994321 0.65 TSHR (0.53) CYP19A1PPARG
SCHEMBL10062055 0.65 DRD3 (0.59) CYP19A1DRD3DRD2DRD1CYP3A4

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 8 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 claimed
EP-2222653-A1 NOVEL 4,5-DIHYDROISOXAZOLES WITH ESTROGENIC ACTIVITY Pulkkinen, Juha (FI) 2010-09-01 EP claimed
WO-2009066009-A1 NOVEL 4,5-DIHYDROISOXAZOLES WITH ESTROGENIC ACTIVITY PULKKINEN JUHA (FI) 2009-05-28 WO claimed
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 CYP19A1 3/4885DRD3 2075/4885DRD2 2694/4885

“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.