3-[3-(4-Hydroxy-Phenyl)-Propyl]-5-Methyl-5-Phenyl-4,5-Dihydro-Isoxazole (Enantiomeric Mix)

3-[3-(4-Hydroxy-Phenyl)-Propyl]-5-Methyl-5-Phenyl-4,5-Dihydro-Isoxazole (Enantiomeric Mix)

SCHEMBL2915705

CC1(c2ccccc2)CC(CCCc2ccc(O)cc2)=NO1

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
ESR1 P03372 2/20 0.36
ADRA2A P08913 2/20 0.36
ADORA3 P0DMS8 2/20 0.36
TACR2 P21452 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
SHBG P04278 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
HSPD1 P10809 1/20 0.36
ADRB3 P13945 1/20 0.36
HTR2C P28335 1/20 0.36
HSPE1 P61604 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL2912160 0.91 SIGMAR1 (0.38) SIGMAR1
SCHEMBL14884947 0.88 TDP1 (0.38) SIGMAR1LMNASCN9A
5-Methyl-3-Phenethyl-5-Phenyl-4,5-Dihydroisoxazole (Enantiomeric Mix) SCHEMBL2921112 0.82 ITGB1 (0.38) SIGMAR1SCN9A
SCHEMBL5039479 0.78 CA2 (0.35) ESR1
SCHEMBL1238323 0.68 ESR1 (0.62) CALM1SIGMAR1ESR1ADRA2AADORA3
SCHEMBL2740913 0.66 KDM4E (0.43) SLC6A2SLC6A3KDM4ESCN9A
SCHEMBL14168752 0.65 ITGB1 (0.40) ALDH1A1
SCHEMBL12595265 0.65 BACE1 (0.39) SCN9A
SCHEMBL157572 0.65 DPP4 (0.63) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL1171041 0.64 ESR1 (0.77) CALM1SIGMAR1ESR1ADRA2AADORA3

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 14 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
US-9278942-B2 Non-steroidal compounds as androgen receptor modulators FLX DISCOVERIES OY (FI) 2016-03-08 US disclosed
US-9278942-B2 Non-steroidal compounds as androgen receptor modulators FLX DISCOVERIES OY (FI) 2016-03-08 US disclosed
US-9278942-B2 Non-steroidal compounds as androgen receptor modulators FLX DISCOVERIES OY (FI) 2016-03-08 US disclosed
US-20140275186-A1 NOVEL NON-STEROIDAL COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS FLX DISCOVERIES OY (FI) 2014-09-18 US disclosed
US-20140275186-A1 NOVEL NON-STEROIDAL COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS FLX DISCOVERIES OY (FI) 2014-09-18 US disclosed
US-20140275186-A1 NOVEL NON-STEROIDAL COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS FLX DISCOVERIES OY (FI) 2014-09-18 US disclosed
EP-2768814-A1 NOVEL NON-STEROIDAL COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS FLX Discoveries OY (FI) 2014-08-27 EP disclosed
WO-2013057372-A1 NOVEL NON-STEROIDAL COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS PULKKINEN JUHA (FI) 2013-04-25 WO 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
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 (2 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 CALM1 1441/4885SIGMAR1 884/4885ESR1 4/4885
US-20140275186-A1 NOVEL NON-STEROIDAL COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS AR, NR5A1, SHBG CALM1 3258/4885SIGMAR1 264/4885ESR1 46/4885

“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.