SCHEMBL228617

SCHEMBL228617

COc1cc(NCCCc2ccc(OCCN(C)C(C)(C)C)c(F)c2)c([C@@H]2CCc3cc(O)ccc3C2)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
KCNH2 Q12809 3/20 0.32
TMEM97 Q5BJF2 3/20 0.32
SIGMAR1 Q99720 3/20 0.32
CYP26A1 O43174 1/20 0.32
GRIN2B Q13224 1/20 0.32
DRD2 P14416 3/20 0.31
DRD1 P21728 2/20 0.31
DRD3 P35462 2/20 0.31
ADRB2 P07550 2/20 0.31
DRD4 P21917 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
SCHEMBL229851 1.00 ESR1 (0.40) ESR1ESR2KCNH2TMEM97SIGMAR1
SCHEMBL227284 0.94 ESR1 (0.41) ESR1ESR2CYP26A1GRIN2BDRD2
SCHEMBL228407 0.94 ESR1 (0.41) ESR1ESR2CYP26A1GRIN2BDRD2
SCHEMBL227521 0.93 ESR1 (0.45) ESR1ESR2CYP26A1GRIN2BDRD2
SCHEMBL227487 0.91 ESR1 (0.41) ESR1ESR2KCNH2CYP26A1DRD2
SCHEMBL229934 0.91 ESR1 (0.41) ESR1ESR2KCNH2CYP26A1DRD2
SCHEMBL225477 0.91 ESR1 (0.43) ESR1ESR2CYP26A1GRIN2BDRD2
SCHEMBL230524 0.91 ESR1 (0.43) ESR1ESR2CYP26A1GRIN2BDRD2
SCHEMBL229729 0.90 ESR1 (0.40) ESR1ESR2KCNH2CYP26A1GRIN2B
SCHEMBL227726 0.90 ESR1 (0.41) ESR1ESR2KCNH2TMEM97SIGMAR1

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 3/4885KCNH2 1700/4885
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 21/4885KCNH2 1014/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885KCNH2 1642/4885

“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.