SCHEMBL5115779

SCHEMBL5115779

CC(=O)Oc1ccc(-c2c(C)c3cccc(OC(C)=O)c3oc2=O)c(OC(C)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.46
ADORA3 P0DMS8 3/20 0.46
ADORA1 P30542 1/20 0.46
TMIGD3 P0DMS9 3/20 0.46
KDM4E B2RXH2 4/20 0.44
MAPT P10636 3/20 0.44
GAPDH P04406 1/20 0.42
PKM P14618 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GLA P06280 2/20 0.41
GAA P10253 1/20 0.41
FPR1 P21462 1/20 0.41
GBA1 P04062 1/20 0.41
PTPN1 P18031 1/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL5107364 0.85 TMIGD3 (0.43) ADORA2AADORA3ADORA1TMIGD3KDM4E
SCHEMBL14301528 0.84 ADORA2A (0.47) ADORA2AADORA3ADORA1TMIGD3KDM4E
SCHEMBL5108571 0.83 KDM4E (0.58) KDM4EMAPTGAPDHALDH1A1GLA
SCHEMBL5116223 0.81 KDM4E (0.50) KDM4EMAPTGAPDHALDH1A1GLA
SCHEMBL14302128 0.80 NPC1 (0.52) ADORA2AADORA3ADORA1KDM4EMAPT
SCHEMBL16847217 0.76 KDM4E (0.53) KDM4EMAPTGAPDHALDH1A1GLA
SCHEMBL5108069 0.75 ESR2 (0.45) KDM4EMAPTALDH1A1GBA1LMNA
SCHEMBL14302103 0.72 ADORA2A (0.43) ADORA2AADORA3ADORA1TMIGD3KDM4E
SCHEMBL8490129 0.71 ADORA2A (0.50) ADORA2AADORA3ADORA1TMIGD3KDM4E
SCHEMBL8492687 0.71 ADORA2A (0.50) ADORA2AADORA3ADORA1TMIGD3KDM4E

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 ADORA2A 1402/4885ADORA3 1648/4885ADORA1 2157/4885
US-20030216463-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators GPER1, ESR2, FSHR ADORA2A 1402/4885ADORA3 1648/4885ADORA1 2157/4885

“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.