SCHEMBL5107909

SCHEMBL5107909

Cc1c(-c2cccc(O)c2O)c(=O)oc2cc(O)ccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.67
ESR2 Q92731 4/20 0.67
ERAP1 Q9NZ08 2/20 0.64
HSD17B3 P37058 6/20 0.60
NPC1 O15118 1/20 0.55
KDM4E B2RXH2 2/20 0.50
GAA P10253 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
MAOA P21397 1/20 0.50
GLA P06280 1/20 0.50
NOX4 Q9NPH5 1/20 0.50
TP53 P04637 2/20 0.48
HPGD P15428 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 1/20 0.48
ALOX15 P16050 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PKLR P30613 1/20 0.48

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
SCHEMBL5109410 0.85 ESR1 (0.81) ESR1ESR2ERAP1HSD17B3NPC1
SCHEMBL7116288 0.82 ESR2 (0.81) ESR1ESR2ERAP1HSD17B3NPC1
SCHEMBL13241261 0.81 ESR1 (1.00) ESR1ESR2ERAP1HSD17B3NPC1
SCHEMBL5116883 0.78 NPC1 (0.75) ESR1ESR2ERAP1HSD17B3NPC1
SCHEMBL1608015 0.78 ERAP1 (1.00) ESR1ESR2ERAP1HSD17B3NPC1
SCHEMBL5088627 0.77 ERAP1 (0.83) ESR1ESR2ERAP1HSD17B3NPC1
SCHEMBL31366988 0.76 HSD17B3 (1.00) ESR1ESR2ERAP1HSD17B3NPC1
SCHEMBL591899 0.76 HSD17B3 (1.00) ESR1ESR2ERAP1HSD17B3NPC1
SCHEMBL5110923 0.76 ESR1 (0.67) ESR1ESR2ERAP1HSD17B3NPC1
SCHEMBL5084955 0.75 ERAP1 (0.74) ESR1ESR2ERAP1HSD17B3NPC1

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 ESR1 4/4885ESR2 2/4885ERAP1 1395/4885
US-20030216463-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators GPER1, ESR2, FSHR ESR1 4/4885ESR2 2/4885ERAP1 1395/4885

“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.