SCHEMBL227712

SCHEMBL227712

COc1ccc(C2CCc3cc(O)ccc3C2)c(NC(C)Cc2ccc(OCC(C)(C)N(C)C)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
CYP26A1 O43174 2/20 0.40
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
ACHE P22303 4/20 0.34
ADRB3 P13945 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
STS P08842 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
MAOB P27338 2/20 0.32
CYP24A1 Q07973 1/20 0.32
ACACB O00763 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
KDM1A O60341 1/20 0.31
MAOA P21397 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
SCHEMBL224247 0.93 ESR1 (0.49) ESR1ESR2CYP26A1CA1CA2
SCHEMBL226219 0.91 ESR1 (0.42) ESR1ESR2CYP26A1CA1CA2
SCHEMBL227660 0.91 ESR1 (0.47) ESR1ESR2CYP26A1CA1CA2
SCHEMBL14889306 0.91 ESR1 (0.45) ESR1ESR2CYP26A1CA1CA2
SCHEMBL227772 0.90 ESR1 (0.44) ESR1ESR2CYP26A1CA1CA2
SCHEMBL226658 0.90 ESR1 (0.39) ESR1ESR2CYP26A1CA1CA2
SCHEMBL229059 0.88 ESR1 (0.49) ESR1ESR2CYP26A1CA1CA2
SCHEMBL227413 0.87 ESR1 (0.48) ESR1ESR2CYP26A1CA1CA2
SCHEMBL224908 0.86 ESR1 (0.54) ESR1ESR2CYP26A1CA1CA2
SCHEMBL227962 0.85 ESR1 (0.47) ESR1ESR2CYP26A1CA1CA2

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 3/4885CYP26A1 459/4885
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 21/4885CYP26A1 857/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885CYP26A1 440/4885

“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.