SCHEMBL3184968

SCHEMBL3184968

COCOc1cc(OCC=C(C)C)c2c(=O)cc(-c3ccc(OC)c(Cl)c3)oc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.62
▸ MAOB P27338 6/20 0.48
▸ ABCB1 P08183 1/20 0.46
▸ MAOA P21397 2/20 0.45
▸ ABCG2 Q9UNQ0 2/20 0.45
▸ PTGES O14684 1/20 0.44
▸ ALOX5 P09917 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ CSNK2A2 P19784 1/20 0.43
▸ CSNK2B P67870 1/20 0.43
▸ CSNK2A1 P68400 1/20 0.43

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
SCHEMBL3191617 0.89 PPARG (0.70) PPARGMAOBABCB1MAOAABCG2
SCHEMBL3189297 0.84 CYP1B1 (0.61) PPARGMAOBABCB1MAOAABCG2
SCHEMBL3181749 0.76 ADORA3 (0.51) PPARGABCB1ABCG2KDM4ECYP3A4
SCHEMBL3173862 0.76 ABCG2 (0.62) PPARGABCB1ABCG2KDM4ECYP3A4
SCHEMBL3180008 0.75 AKT1 (0.56) PTGESALOX5KDM4ECYP3A4
SCHEMBL8305990 0.74 MAOB (0.66) PPARGMAOBABCB1MAOAABCG2
SCHEMBL29093010 0.73 PPARG (0.69) PPARGMAOBABCB1MAOAABCG2
SCHEMBL30595011 0.73 PPARG (0.69) PPARGMAOBABCB1MAOAABCG2
SCHEMBL3459602 0.73 AKT1 (0.61) PTGESALOX5KDM4ECYP3A4
SCHEMBL731601 0.73 ABCB1 (0.54) PPARGABCB1ABCG2KDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2262366-A1 COMPOUNDS AND METHODS FOR TREATING ESTROGEN RECEPTOR-RELATED DISEASES Shenogen Pharma Group Ltd. (CN) 2010-12-22 — — EP disclosed
US-20100016352-A1 COMPOUNDS AND METHODS FOR TREATING ESTROGEN RECEPTOR-RELATED DISEASES SHENOGEN PHARMA GROUP LTD. (CN) 2010-01-21 — — US disclosed
US-20100016352-A1 COMPOUNDS AND METHODS FOR TREATING ESTROGEN RECEPTOR-RELATED DISEASES SHENOGEN PHARMA GROUP LTD. (CN) 2010-01-21 — — US disclosed
US-20100016352-A1 COMPOUNDS AND METHODS FOR TREATING ESTROGEN RECEPTOR-RELATED DISEASES SHENOGEN PHARMA GROUP LTD. (CN) 2010-01-21 — — US disclosed
WO-2009129372-A1 COMPOUNDS AND METHODS FOR TREATING ESTROGEN RECEPTOR-RELATED DISEASES SHENOGEN PHARMA GROUP LTD. (CN) 2009-10-22 — — 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-20100016352-A1 COMPOUNDS AND METHODS FOR TREATING ESTROGEN RECEPTOR-RELATED DISEASES ESR2, ESR1, ESRRB PPARG 57/4885MAOB 2982/4885ABCB1 2333/4885

“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.

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