SCHEMBL5115908

SCHEMBL5115908

COc1ccc(-c2c(C)c3cc(C)ccc3oc2=O)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.56
MAPT P10636 4/20 0.49
RXFP1 Q9HBX9 1/20 0.49
KCNA5 P22460 1/20 0.47
KCNH2 Q12809 1/20 0.47
ATM Q13315 1/20 0.47
CNR2 P34972 1/20 0.45
NPC1 O15118 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
CTSG P08311 1/20 0.44
KLK7 P49862 1/20 0.44
CTRC Q99895 1/20 0.44

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
SCHEMBL19196976 0.90 KDM4E (0.53) MAOBMAPTCNR2NPC1KDM4E
SCHEMBL5115894 0.86 KDM4E (0.52) MAOBMAPTNPC1KDM4EALDH1A1
SCHEMBL5111604 0.86 KDM4E (0.60) MAOBMAPTNPC1KDM4EALDH1A1
SCHEMBL5122528 0.85 MAPT (0.55) MAOBMAPTRXFP1NPC1KDM4E
SCHEMBL7123859 0.82 MAOB (0.76) MAOBMAPTRXFP1KCNA5KCNH2
SCHEMBL5114856 0.81 KDM4E (0.51) MAOBMAPTNPC1KDM4EALDH1A1
SCHEMBL16847216 0.81 NPC1 (0.70) MAPTRXFP1NPC1KDM4EALDH1A1
SCHEMBL5112577 0.80 ALDH1A1 (0.61) MAPTNPC1KDM4EALDH1A1HPGD
SCHEMBL5115901 0.78 MAPT (0.45) MAOBMAPTRXFP1KCNA5KCNH2
SCHEMBL16847175 0.78 KDM4E (0.61) MAOBMAPTNPC1KDM4EALDH1A1

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 10 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
CN-1620457-A tetracyclic heterocyclic compounds as estrogen receptor modulators ORTHO MCNEIL PHARM INC (US) 2005-05-25 CN 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 2014/4885MAPT 1656/4885RXFP1 237/4885
US-20030216463-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators GPER1, ESR2, FSHR MAOB 2014/4885MAPT 1656/4885RXFP1 237/4885

“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.