SCHEMBL228077

SCHEMBL228077

COc1ccc(C2CCc3cc(O)ccc3C2)c(NC(C)Cc2ccc(CCN3C4CCC3CC4)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
CYP26A1 O43174 2/20 0.41
OPRM1 P35372 3/20 0.34
OPRD1 P41143 3/20 0.34
AVPR1B P47901 3/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CDK2 P24941 1/20 0.33
GSK3B P49841 1/20 0.33
CDK16 Q00536 1/20 0.33
DYRK1A Q13627 1/20 0.33
NQO2 P16083 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
STS P08842 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33

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
SCHEMBL226967 0.92 ESR1 (0.46) ESR1ESR2CYP26A1OPRD1DRD2
SCHEMBL227709 0.90 ESR1 (0.50) ESR1ESR2CYP26A1DRD2CDK2
SCHEMBL229062 0.89 ESR1 (0.42) ESR1ESR2CYP26A1DRD2DRD3
SCHEMBL227599 0.89 ESR1 (0.49) ESR1ESR2CYP26A1AVPR1BCDK2
SCHEMBL225502 0.89 ESR1 (0.49) ESR1ESR2CYP26A1AVPR1BCDK2
SCHEMBL230234 0.88 ESR1 (0.53) ESR1ESR2CYP26A1DRD2DRD3
SCHEMBL225834 0.88 ESR1 (0.39) ESR1ESR2OPRM1OPRD1DRD2
SCHEMBL224908 0.87 ESR1 (0.54) ESR1ESR2CYP26A1DRD2DRD3
SCHEMBL226053 0.86 ESR1 (0.48) ESR1ESR2CYP26A1GRIN1GRIN2B
SCHEMBL228076 0.86 ESR1 (0.53) ESR1ESR2CYP26A1OPRM1OPRD1

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.