SCHEMBL226067

SCHEMBL226067

CC(Cc1ccc(OCC(C)(C)N)cc1)Nc1ccccc1C1CCc2cc(O)ccc2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.34
CYP26A1 O43174 1/20 0.34
PPARG P37231 1/20 0.33
GRIN2B Q13224 2/20 0.32
OPRK1 P41145 1/20 0.32
ACACB O00763 3/20 0.32
ADRB3 P13945 2/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
TAOK1 Q7L7X3 1/20 0.32
TAOK3 Q9H2K8 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
ACHE P22303 2/20 0.32
STS P08842 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 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
SCHEMBL227660 0.90 ESR1 (0.47) ESR1ESR2L3MBTL1CYP26A1ACACB
SCHEMBL227892 0.88 ESR1 (0.41) ESR1ESR2L3MBTL1CYP26A1OPRK1
SCHEMBL226956 0.85 ESR1 (0.41) ESR1ESR2PPARG
SCHEMBL228630 0.84 ESR1 (0.43) ESR1ESR2PPARGACACB
SCHEMBL226169 0.83 ESR1 (0.45) ESR1ESR2CYP26A1GRIN2B
SCHEMBL226066 0.83 ESR1 (0.45) ESR1ESR2CYP26A1GRIN2B
SCHEMBL228509 0.83 ESR1 (0.46) ESR1ESR2PPARGOPRK1ACACB
SCHEMBL226876 0.82 ESR1 (0.49) ESR1ESR2PPARGOPRK1ACACB
SCHEMBL227712 0.81 ESR1 (0.48) ESR1ESR2L3MBTL1CYP26A1ACACB
SCHEMBL224036 0.81 ESR1 (0.43) ESR1ESR2L3MBTL1CYP26A1CA1

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.