SCHEMBL228659

SCHEMBL228659

COc1ccc2c(c1)CCC(c1ccc(OC)cc1NC(CCc1ccc(O[Si](C)(C)C(C)(C)C)cc1)C1CC1)C2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
CYP19A1 P11511 2/20 0.36
CYP26A1 O43174 1/20 0.36
GRIN2B Q13224 5/20 0.34
GRIN1 Q05586 2/20 0.34
DRD2 P14416 3/20 0.34
DRD3 P35462 3/20 0.34
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
ACHE P22303 2/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 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
SCHEMBL224945 0.85 ESR1 (0.46) ESR1ESR2CYP19A1CYP26A1GRIN2B
SCHEMBL228661 0.80 ESR1 (0.39) ESR1ESR2CYP19A1CYP26A1GRIN2B
SCHEMBL226101 0.80 DRD2 (0.41) ESR1ESR2CYP19A1CYP26A1DRD2
SCHEMBL226662 0.79 LTA4H (0.42) ESR1ESR2
SCHEMBL4430131 0.78 ESR1 (0.46) ESR1ESR2CYP26A1CA1CA2
SCHEMBL227154 0.76 ESR1 (0.37) ESR1ESR2CYP19A1CYP26A1GRIN2B
SCHEMBL227184 0.75 DRD2 (0.38) ESR1ESR2CYP19A1CYP26A1DRD2
SCHEMBL228660 0.74 ESR1 (0.48) ESR1ESR2CYP19A1CYP26A1DRD2
SCHEMBL31683678 0.74 DRD2 (0.41) ESR1ESR2CYP19A1CYP26A1DRD2
SCHEMBL225179 0.74 DRD2 (0.41) ESR1ESR2CYP19A1CYP26A1DRD2

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 3/4885CYP19A1 22/4885
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 21/4885CYP19A1 146/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885CYP19A1 20/4885

“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.