SCHEMBL228884

SCHEMBL228884

COc1cc(NC(C)Cc2ccc(OCCN(C)C)cc2)c(C2CCc3cc(O)ccc3C2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.43
ESR2 Q92731 2/20 0.43
ACHE P22303 2/20 0.38
BCHE P06276 1/20 0.38
DRD2 P14416 3/20 0.37
DRD3 P35462 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
LMNA P02545 1/20 0.37
SLC6A2 P23975 1/20 0.37
CYP2C19 P33261 1/20 0.37
KCNH2 Q12809 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP26A1 O43174 1/20 0.36
PPARG P37231 2/20 0.34
PPARD Q03181 2/20 0.34
PPARA Q07869 1/20 0.34
DRD1 P21728 1/20 0.34
ACACB O00763 2/20 0.34
OPRM1 P35372 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
SCHEMBL228520 0.92 ESR1 (0.45) ESR1ESR2ACHEBCHECYP26A1
SCHEMBL229059 0.91 ESR1 (0.49) ESR1ESR2ACHEDRD2DRD3
SCHEMBL227162 0.90 ESR1 (0.45) ESR1ESR2ACHEBCHEDRD2
SCHEMBL227285 0.89 ESR1 (0.38) ESR1ESR2DRD2DRD3HRH3
SCHEMBL226219 0.88 ESR1 (0.42) ESR1ESR2ACHEBCHEDRD2
SCHEMBL226956 0.88 ESR1 (0.41) ESR1ESR2PPARG
SCHEMBL227144 0.88 ESR1 (0.40) ESR1ESR2ACHEBCHEDRD2
SCHEMBL1999821 0.88 ESR1 (0.44) ESR1ESR2DRD2CYP26A1PPARG
SCHEMBL228574 0.87 ESR1 (0.42) ESR1ESR2ACHEBCHEDRD2
SCHEMBL228402 0.86 ESR1 (0.43) ESR1ESR2DRD2LMNACYP26A1

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 3/4885ACHE 3485/4885
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 21/4885ACHE 2597/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885ACHE 3172/4885

“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.