SCHEMBL5108566

SCHEMBL5108566

CC(C)(C)[Si](C)(C)Oc1ccc2c3c(c(=O)oc2c1)-c1ccccc1OCC3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.41
▸ CA1 P00915 3/20 0.41
▸ CA9 Q16790 3/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDM4E B2RXH2 7/20 0.36
▸ ALDH1A1 P00352 7/20 0.36
▸ HPGD P15428 6/20 0.36
▸ HSD17B10 Q99714 5/20 0.36
▸ TSHR P16473 3/20 0.36
▸ MAOB P27338 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ MAPT P10636 3/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ STS P08842 5/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD4 P21917 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
SCHEMBL5114993 0.92 CA12 (0.43) CA12CA1CA9MEN1KMT2A
SCHEMBL5122485 0.88 CA12 (0.39) CA12CA1CA9MEN1KMT2A
SCHEMBL5114194 0.86 MEN1 (0.43) CA12CA1CA9MEN1KMT2A
SCHEMBL5117623 0.85 MAOB (0.37) CA12CA1CA9MEN1KMT2A
SCHEMBL5115203 0.81 KDM4E (0.49) CA12CA1CA9MEN1KMT2A
SCHEMBL5112101 0.80 CA12 (0.39) CA12CA1CA9ALDH1A1HPGD
SCHEMBL8124201 0.80 CA12 (0.45) CA12CA1CA9MEN1KMT2A
SCHEMBL5120752 0.78 CA12 (0.44) CA12CA1CA9MEN1KMT2A
SCHEMBL14277827 0.78 MAOB (0.36) CA12CA1CA9MEN1KMT2A
SCHEMBL5116934 0.78 CA12 (0.40) CA12CA1CA9MEN1KMT2A

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-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
EP-1467998-A1 TETRACYCLIC HETEROCOMPOUNDS AS ESTROGEN RECEPTOR MODULATORS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-10-20 — — EP 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
WO-2003053977-A1 TETRACYCLIC HETEROCOMPOUNDS AS ESTROGEN RECEPTOR MODULATORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-07-03 — — 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 (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 CA12 1109/4885CA1 697/4885CA9 1341/4885
US-20030216463-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators GPER1, ESR2, FSHR CA12 1109/4885CA1 697/4885CA9 1341/4885

“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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