SCHEMBL5116883

SCHEMBL5116883

COc1ccc(-c2c(C)c3ccc(O)cc3oc2=O)c(O)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.75
ESR2 Q92731 4/20 0.70
ESR1 P03372 3/20 0.70
MAPT P10636 3/20 0.64
ERAP1 Q9NZ08 2/20 0.59
HSD17B3 P37058 4/20 0.58
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 2/20 0.54
GAA P10253 1/20 0.54
NOD2 Q9HC29 1/20 0.53
TP53 P04637 2/20 0.52
RAB9A P51151 2/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50

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
SCHEMBL14277777 0.95 NPC1 (0.67) NPC1ESR2ESR1MAPTERAP1
SCHEMBL16847216 0.91 NPC1 (0.70) NPC1ESR2ESR1MAPTERAP1
SCHEMBL5109410 0.89 ESR1 (0.81) NPC1ESR2ESR1MAPTERAP1
SCHEMBL5647776 0.89 NPC1 (0.70) NPC1ESR2ESR1MAPTERAP1
SCHEMBL5427914 0.86 NPC1 (1.00) NPC1ESR2ESR1MAPTERAP1
SCHEMBL13241261 0.82 ESR1 (1.00) NPC1ESR2ESR1MAPTERAP1
SCHEMBL5111604 0.82 KDM4E (0.60) NPC1ESR2ESR1MAPTKDM4E
SCHEMBL4417048 0.81 MAPT (0.58) NPC1ESR2ESR1MAPTKDM4E
SCHEMBL5110923 0.81 ESR1 (0.67) NPC1ESR2ESR1ERAP1HSD17B3
SCHEMBL6621614 0.80 MAPT (0.61) NPC1ESR2ESR1MAPTERAP1

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 NPC1 3405/4885ESR2 2/4885ESR1 4/4885
US-20030216463-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators GPER1, ESR2, FSHR NPC1 3405/4885ESR2 2/4885ESR1 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.