SCHEMBL5123066

SCHEMBL5123066

O=C1COc2cc(O)ccc2-c2c(c3ccc(O)cc3oc2=O)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ GLA P06280 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ MAOA P21397 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ CASP1 P29466 1/20 0.48
▸ CASP7 P55210 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ ESR1 P03372 6/20 0.47
▸ ESR2 Q92731 5/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ PDE2A O00408 1/20 0.43
▸ CDC25A P30304 1/20 0.43
▸ CDC25C P30307 1/20 0.43
▸ HSD17B3 P37058 1/20 0.43
▸ PKLR P30613 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL5112338 0.90 KDM4E (0.52) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL5107324 0.82 MAOA (0.54) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL5113287 0.82 ESR1 (0.45) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL16847176 0.82 ESR1 (0.50) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL5113933 0.80 MIF (0.47) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL5108590 0.75 MAOA (0.48) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL5120752 0.75 CA12 (0.44) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL4742427 0.73 KDM4E (0.60) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL31464865 0.73 KDM4E (0.60) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL5122044 0.73 MAOA (0.51) KDM4EALDH1A1GLAGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329654-B2 Heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-12 — — US disclosed
US-7329654-B2 Heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-12 — — US disclosed
US-7329654-B2 Heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-12 — — US disclosed
US-7105679-B2 Heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators KANOJIA RAMESH M 2006-09-12 — — US disclosed
EP-1467998-B1 TETRACYCLIC HETEROCOMPOUNDS AS ESTROGEN RECEPTOR MODULATORS ORTHO MCNEIL PHARM INC (US) 2006-03-29 — — EP disclosed
EP-1569939-A1 NOVEL HETEROATOM CONTAINING TETRACYCLIC DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS Ortho-Mcneil Pharmaceutical, Inc. (US) 2005-09-07 — — EP disclosed
US-20040259915-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators KANOJIA RAMESH M (US) 2004-12-23 — — US disclosed
WO-2004050660-A1 NOVEL HETEROATOM CONTAINING TETRACYCLIC DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2004-06-17 — — WO disclosed
US-20030216463-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-11-20 — — US 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-20040259915-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators GPER1, ESR2, FSHR KDM4E 2868/4885ALDH1A1 2801/4885GLA 1009/4885
US-20030216463-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators GPER1, ESR2, FSHR KDM4E 2868/4885ALDH1A1 2801/4885GLA 1009/4885

“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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