SCHEMBL229791

SCHEMBL229791

CCN1CCC(Oc2ccc(CN(CC)c3cc(OC)c(OC)cc3C3CCc4cc(O)ccc4C3)cc2F)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.49
ESR2 Q92731 1/20 0.49
CA9 Q16790 1/20 0.35
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
PDE4B Q07343 2/20 0.35
KDM1A O60341 2/20 0.35
POLB P06746 1/20 0.34
ABCB1 P08183 2/20 0.34
KCNH2 Q12809 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
DRD4 P21917 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SGPL1 O95470 1/20 0.32
S1PR1 P21453 1/20 0.32

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
SCHEMBL229790 1.00 ESR1 (0.49) ESR1ESR2CA9DRD2DRD1
SCHEMBL226261 0.95 ESR1 (0.50) ESR1ESR2CA9DRD2DRD1
SCHEMBL226262 0.95 ESR1 (0.50) ESR1ESR2CA9DRD2DRD1
SCHEMBL226933 0.91 ESR1 (0.61) ESR1ESR2CA9DRD2KDM1A
SCHEMBL226934 0.91 ESR1 (0.61) ESR1ESR2CA9DRD2KDM1A
SCHEMBL225246 0.90 ESR1 (0.50) ESR1ESR2CA9DRD2DRD1
SCHEMBL225245 0.90 ESR1 (0.50) ESR1ESR2CA9DRD2DRD1
SCHEMBL224179 0.89 ESR1 (0.58) ESR1ESR2CA9DRD2DRD1
SCHEMBL224180 0.89 ESR1 (0.58) ESR1ESR2CA9DRD2DRD1
SCHEMBL227076 0.86 ESR1 (0.62) ESR1ESR2DRD2

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.