SCHEMBL230001

SCHEMBL230001

COc1cc(NCCCc2ccc(CN3CCCCCC3)cc2)c(C2CCc3cc(O)ccc3C2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
CA9 Q16790 1/20 0.42
ABCB1 P08183 4/20 0.40
ABCC1 P33527 3/20 0.40
CHRM1 P11229 1/20 0.39
HTR2A P28223 1/20 0.39
MCHR1 Q99705 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
GAA P10253 1/20 0.39
DRD2 P14416 2/20 0.38
DRD1 P21728 2/20 0.38
ACHE P22303 3/20 0.38
GRIN2B Q13224 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL228819 1.00 ESR1 (0.44) ESR1ESR2CA9ABCB1ABCC1
SCHEMBL228655 0.93 ESR1 (0.44) ESR1ESR2CA9DRD2DRD1
SCHEMBL229314 0.93 ESR1 (0.44) ESR1ESR2CA9ABCB1DRD2
SCHEMBL230138 0.93 ESR1 (0.44) ESR1ESR2CA9DRD2DRD1
SCHEMBL229394 0.93 ESR1 (0.44) ESR1ESR2CA9DRD2DRD1
SCHEMBL225838 0.93 ESR1 (0.44) ESR1ESR2CA9DRD2DRD1
SCHEMBL227039 0.91 ESR1 (0.45) ESR1ESR2CA9DRD2DRD1
SCHEMBL226329 0.90 ESR1 (0.51) ESR1ESR2CA9CHRM1HTR2A
SCHEMBL227287 0.89 ESR1 (0.45) ESR1ESR2CHRM1HTR2ADRD2
SCHEMBL230459 0.89 ESR1 (0.45) ESR1ESR2CHRM1HTR2ADRD2

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 3/4885CA9 1880/4885
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 21/4885CA9 1962/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885CA9 1858/4885

“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.