SCHEMBL2924037

SCHEMBL2924037

c1ccc(CCCC2=NOC(c3ccccc3)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
P2RX7 Q99572 2/20 0.39
SIGMAR1 Q99720 5/20 0.38
PTAFR P25105 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR2A P28223 1/20 0.37
PPARG P37231 2/20 0.37
PPARA Q07869 1/20 0.37
PTPN1 P18031 1/20 0.36
GRIN2B Q13224 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
SCHEMBL2923049 0.90 TSHR (0.46) TSHRP2RX7PPARGPPARAPTPN1
3-[3-(4-Hydroxy-Phenyl)-Propyl]-5-Phenyl-4,5-Dihydro-Isoxazole (Enantiomeric Mix) SCHEMBL2912343 0.90 TSHR (0.43) TSHRPPARG
SCHEMBL2914616 0.87 PTPN1 (0.49) TSHRSIGMAR1PPARGPPARAPTPN1
SCHEMBL2919709 0.82 TSHR (0.47) TSHRPPARGPPARAPTPN1
3-(3-(3-(4-Hydroxyphenyl)Propyl)-4,5-Dihydroisoxazol-5-Yl)Phenol (Enantiomeric Mix) SCHEMBL2924055 0.78 CYP19A1 (0.40) PPARG
SCHEMBL2914282 0.78
SCHEMBL5997185 0.77 TSHR (0.49) TSHRPPARGPPARAPTPN1
SCHEMBL5994321 0.77 TSHR (0.53) TSHRCYP1A2CYP2C19PPARGPPARA
SCHEMBL2924437 0.73 TSHR (0.46) TSHRCYP3A4PPARGPPARAPTPN1
5-Benzyl-3-[3-(4-Hydroxy-Phenyl)-Propyl]-4,5-Dihydroisoxazole (Enantiomeric Mix) SCHEMBL2923872 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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 746/4885P2RX7 340/4885SIGMAR1 884/4885

“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.