SCHEMBL2923049

SCHEMBL2923049

c1ccc(CCC2=NOC(c3ccccc3)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
PTPN1 P18031 2/20 0.38
PPARG P37231 2/20 0.38
PPARA Q07869 1/20 0.38
P2RX7 Q99572 1/20 0.36
KCNH2 Q12809 2/20 0.35
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 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
SCHEMBL2924037 0.90 TSHR (0.44) TSHRPTPN1PPARGPPARAP2RX7
SCHEMBL2919709 0.85 TSHR (0.47) TSHRPTPN1PPARGPPARA
3-[3-(4-Hydroxy-Phenyl)-Propyl]-5-Phenyl-4,5-Dihydro-Isoxazole (Enantiomeric Mix) SCHEMBL2912343 0.81 TSHR (0.43) TSHRPPARG
SCHEMBL5997185 0.79 TSHR (0.49) TSHRPTPN1PPARGPPARAMAOB
SCHEMBL5994321 0.79 TSHR (0.53) TSHRPTPN1PPARGPPARAMAOB
SCHEMBL2914616 0.78 PTPN1 (0.49) TSHRPTPN1PPARGPPARAKDM1A
SCHEMBL2923312 0.77 SLC6A2 (0.45) PPARGPPARA
SCHEMBL28774983 0.75 TDP1 (0.38)
SCHEMBL2924437 0.75 TSHR (0.46) TSHRPTPN1PPARGPPARAMAOA
SCHEMBL25401501 0.74 POLB (0.48)

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
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
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 746/4885PTPN1 4136/4885PPARG 140/4885

“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.