SCHEMBL3181749

SCHEMBL3181749

COCOc1cc(OCC=C(C)C)c2c(=O)c(OC)c(-c3ccc(Cl)cc3)oc2c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 5/20 0.51
▸ SLC22A2 O15244 1/20 0.51
▸ SLC22A1 O15245 1/20 0.51
▸ PPARG P37231 3/20 0.48
▸ PTPN1 P18031 1/20 0.47
▸ ABCG2 Q9UNQ0 5/20 0.47
▸ ABCB1 P08183 4/20 0.47
▸ ABCC1 P33527 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL3173862 0.89 ABCG2 (0.62) ADORA3SLC22A2SLC22A1PPARGABCG2
SCHEMBL3191617 0.83 PPARG (0.70) PPARGABCG2ABCB1KDM4EMEN1
SCHEMBL3181661 0.83 CYP3A4 (0.62) ADORA3ABCG2ABCB1ABCC1KDM4E
SCHEMBL3184968 0.76 PPARG (0.62) PPARGABCG2ABCB1KDM4EMEN1
SCHEMBL29706587 0.76 CYP3A4 (0.53) ADORA3SLC22A2SLC22A1PPARGPTPN1
SCHEMBL3191656 0.74 PDE5A (0.66) PTPN1ABCG2ABCB1KDM4ECYP3A4
SCHEMBL28616504 0.74 TP53 (0.44) PPARGABCG2ABCB1KDM4EMEN1
SCHEMBL3173948 0.72 ABCG2 (0.80) ABCG2ABCB1ABCC1KDM4EMEN1
SCHEMBL17656837 0.72 PLG (0.79) ABCG2ABCB1ABCC1KDM4EMEN1
SCHEMBL29397591 0.71 ABCG2 (0.74) ADORA3SLC22A2SLC22A1PPARGABCG2

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 ADORA3 1666/4885SLC22A2 2344/4885SLC22A1 1833/4885

“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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