SCHEMBL226028

SCHEMBL226028

COc1ccc2c(c1)CCC(c1ccc(OC)cc1NC(C)Cc1ccc(OCCN(C(C)C)C(C)C)c(F)c1)C2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
DRD2 P14416 5/20 0.35
DRD3 P35462 5/20 0.35
CYP26A1 O43174 1/20 0.34
MCHR1 Q99705 3/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
ACHE P22303 2/20 0.33
CYP19A1 P11511 1/20 0.33
ROCK2 O75116 1/20 0.32
DRD4 P21917 2/20 0.32
GHSR Q92847 1/20 0.32
PTPN1 P18031 1/20 0.31

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
SCHEMBL225106 0.89 ESR1 (0.38) ESR1ESR2DRD2DRD3CYP26A1
SCHEMBL227513 0.89 ESR1 (0.37) ESR1ESR2DRD2DRD3CYP26A1
SCHEMBL224720 0.89 ESR1 (0.45) ESR1ESR2L3MBTL1DRD2DRD3
SCHEMBL228281 0.88 ESR1 (0.47) ESR1ESR2L3MBTL1DRD2DRD3
SCHEMBL230209 0.88 ESR1 (0.44) ESR1ESR2L3MBTL1DRD2DRD3
SCHEMBL226027 0.87 ESR1 (0.39) ESR1ESR2DRD2DRD3CYP26A1
SCHEMBL223933 0.85 MCHR1 (0.40) ESR1ESR2DRD2DRD3MCHR1
SCHEMBL228631 0.84 DRD2 (0.40) ESR1ESR2DRD2DRD3CYP26A1
SCHEMBL225299 0.83 ESR1 (0.41) ESR1ESR2CYP26A1
SCHEMBL228029 0.83 ESR1 (0.46) ESR1ESR2L3MBTL1CYP26A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1577288-B1 Selective estrogen receptor modulators EISAI R&D MAN CO LTD (JP) 2014-07-23 EP disclosed
US-8399520-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 US disclosed
US-20120004315-A1 Selective Estrogen Receptor Modulator RADIUS HEALTH, INC. 2012-01-05 US disclosed
US-7960412-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-14 US disclosed
US-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR RADIUS HEALTH, INC. 2009-12-31 US disclosed
US-7612114-B2 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-03 US disclosed
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI CO., LTD. (JP) 2006-06-01 US disclosed
EP-1577288-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS Eisai Co., Ltd. (JP) 2005-09-21 EP 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 (3 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-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885L3MBTL1 3581/4885
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer BRCA1, BCR, RCC1 ESR1 34/4885ESR2 21/4885L3MBTL1 422/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885L3MBTL1 3847/4885

“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.