SCHEMBL5107841

SCHEMBL5107841

Cc1ccc2oc(=O)c3c(c2c1)CCOc1cc(O)ccc1-3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 6/20 0.48
▸ MAOA P21397 3/20 0.48
▸ ESR1 P03372 3/20 0.42
▸ ESR2 Q92731 3/20 0.42
▸ NQO1 P15559 1/20 0.41
▸ PRKD1 Q15139 3/20 0.41
▸ CSNK2A2 P19784 2/20 0.40
▸ CSNK2B P67870 2/20 0.40
▸ CSNK2A1 P68400 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL5122044 0.85 MAOA (0.51) MAOBMAOAESR1ESR2PRKD1
SCHEMBL5107324 0.84 MAOA (0.54) MAOBMAOAESR1ESR2NQO1
SCHEMBL5108590 0.80 MAOA (0.48) MAOBMAOAESR1ESR2NQO1
SCHEMBL5112101 0.79 CA12 (0.39) MAOBNQO1MAPTSMN1; SMN2ALDH1A1
SCHEMBL5115307 0.75 HPGD (0.51) MAOBMAOAESR1ESR2KDM4E
SCHEMBL12698437 0.74 MAOA (0.51) MAOBMAOAESR1ESR2PRKD1
SCHEMBL15806872 0.74 MAPT (0.39) MAOBCSNK2A2CSNK2BCSNK2A1KDM4E
SCHEMBL13958281 0.73 MAPT (0.48) PRKD1CSNK2A2CSNK2BCSNK2A1KDM4E
SCHEMBL5113933 0.72 MIF (0.47) MAOBMAOAESR1ESR2KDM4E
SCHEMBL5112338 0.72 KDM4E (0.52) MAOAESR1ESR2NQO1CSNK2A2

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 11 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
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 MAOB 2014/4885MAOA 1435/4885ESR1 4/4885
US-20030216463-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators GPER1, ESR2, FSHR MAOB 2014/4885MAOA 1435/4885ESR1 4/4885

“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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