SCHEMBL226544

SCHEMBL226544

CCN(Cc1ccc(CCNCCCOC)cc1)c1cc(OC)c(OC)cc1C1CCc2cc(O)ccc2C1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.68
ESR2 Q92731 1/20 0.68
ADRB2 P07550 2/20 0.36
SMPD1 P17405 1/20 0.35
GRIN2B Q13224 2/20 0.34
DRD2 P14416 3/20 0.34
DRD1 P21728 2/20 0.34
DRD3 P35462 2/20 0.34
DRD4 P21917 1/20 0.34
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
BCHE P06276 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CYP26A1 O43174 1/20 0.33
SLC2A1 P11166 1/20 0.33
OPRM1 P35372 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
SCHEMBL225219 0.92 ESR1 (0.61) ESR1ESR2ADRB2BCHECYP26A1
SCHEMBL226770 0.92 ESR1 (0.71) ESR1ESR2ADRB2GRIN2BDRD2
SCHEMBL230041 0.91 ESR1 (0.80) ESR1ESR2ADRB2GRIN2BDRD2
SCHEMBL230040 0.91 ESR1 (0.80) ESR1ESR2ADRB2GRIN2BDRD2
SCHEMBL226940 0.91 ESR1 (0.60) ESR1ESR2ADRB2ADRA1DADRA1A
SCHEMBL229484 0.90 ESR1 (0.84) ESR1ESR2ADRB2SMPD1GRIN2B
SCHEMBL229708 0.89 ESR1 (0.68) ESR1ESR2ADRB2SMPD1GRIN2B
SCHEMBL228913 0.89 ESR1 (0.67) ESR1ESR2ADRB2SMPD1GRIN2B
SCHEMBL229114 0.88 ESR1 (0.69) ESR1ESR2ADRB2GRIN2BDRD2
SCHEMBL229112 0.88 ESR1 (0.69) ESR1ESR2ADRB2GRIN2BDRD2

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 7 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

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 3/4885ADRB2 697/4885
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 21/4885ADRB2 1594/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885ADRB2 536/4885

“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.