SCHEMBL2924437

SCHEMBL2924437

Oc1ccc(CC2=NOC(c3ccccc3)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
ESR1 P03372 3/20 0.40
ESR2 Q92731 2/20 0.40
PPARG P37231 3/20 0.38
NPC1 O15118 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
AR P10275 1/20 0.37
CYP19A1 P11511 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
PSMB5 P28074 1/20 0.37
KEAP1 Q14145 1/20 0.37
LTA4H P09960 1/20 0.36
SCN9A Q15858 1/20 0.36
SORT1 Q99523 1/20 0.36
PPARA Q07869 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
SCHEMBL2919709 0.89 TSHR (0.47) TSHRPPARGSCN9ASORT1PPARA
SCHEMBL2923074 0.87 CYP19A1 (0.42) ESR1ESR2PPARGCYP3A4CYP19A1
SCHEMBL2922517 0.85 DRD2 (0.42) TSHRPPARGCYP19A1PPARA
3-[3-(4-Hydroxy-Phenyl)-Propyl]-5-Phenyl-4,5-Dihydro-Isoxazole (Enantiomeric Mix) SCHEMBL2912343 0.85 TSHR (0.43) TSHRPPARG
SCHEMBL14149798 0.79 DRD2 (0.37) ESR1ESR2PPARG
SCHEMBL5994321 0.78 TSHR (0.53) TSHRPPARGADORA3ARCYP19A1
SCHEMBL2923049 0.75 TSHR (0.46) TSHRPPARGMAOAMAOBPPARA
SCHEMBL5997185 0.74 TSHR (0.49) TSHRPPARGADORA3MAPTAR
SCHEMBL14880611 0.74 MIF (0.52) TSHRPPARGMAOBPPARAPTPN1
SCHEMBL14149898 0.73 ESR1 (0.32) ESR1ESR2

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 TSHR 746/4885ESR1 4/4885ESR2 1/4885

“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.