SCHEMBL5110331

SCHEMBL5110331

CC(=O)Oc1ccc(-c2c(CBr)c3ccc(F)cc3oc2=O)c(OC(C)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
GLA P06280 3/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ESR1 P03372 9/20 0.44
MAPT P10636 1/20 0.41
BRAF P15056 1/20 0.41
MAP2K1 Q02750 1/20 0.41
NQO1 P15559 1/20 0.40
GAPDH P04406 1/20 0.39
FPR1 P21462 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CDC25A P30304 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
SCHEMBL5107933 0.93 KDM4E (0.51) KDM4EGLAALDH1A1GAACASP1
SCHEMBL14301527 0.86 ESR1 (0.49) KDM4EGLAALDH1A1GAACASP1
SCHEMBL5109343 0.86 NQO1 (0.48) KDM4EGLAALDH1A1GAACASP1
SCHEMBL5116223 0.85 KDM4E (0.50) KDM4EGLAALDH1A1GAACASP1
SCHEMBL5107364 0.81 TMIGD3 (0.43) KDM4EGLAALDH1A1GAACASP1
SCHEMBL14307631 0.79 KDM4E (0.53) KDM4EGLAALDH1A1GAACASP1
SCHEMBL14277813 0.78 KMT2A (0.54) KDM4EGLAALDH1A1GAAHSD17B10
SCHEMBL5108571 0.77 KDM4E (0.58) KDM4EGLAALDH1A1GAACASP1
SCHEMBL16847213 0.76 KDM4E (0.50) KDM4EGLAALDH1A1GAAHSD17B10
SCHEMBL27328405 0.74 KDM4E (0.55) KDM4EGLAALDH1A1GAACASP1

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 KDM4E 2868/4885GLA 1009/4885ALDH1A1 2801/4885
US-20030216463-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators GPER1, ESR2, FSHR KDM4E 2868/4885GLA 1009/4885ALDH1A1 2801/4885

“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.