SCHEMBL226847

SCHEMBL226847

COCCN(C)CCOc1ccc(CCNc2cc(OC)ccc2C2CCc3cc(O)ccc3C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.54
ESR2 Q92731 2/20 0.54
CYP26A1 O43174 1/20 0.41
DRD3 P35462 6/20 0.39
DRD2 P14416 5/20 0.39
KCNH2 Q12809 3/20 0.38
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
ACHE P22303 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CACNA1F O60840 1/20 0.34
CHRM2 P08172 1/20 0.34
AGTR1 P30556 1/20 0.34
CACNA1D Q01668 1/20 0.34
CACNA1S Q13698 1/20 0.34
CACNA1C Q13936 1/20 0.34

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
SCHEMBL228346 0.95 ESR1 (0.51) ESR1ESR2CYP26A1DRD3DRD2
SCHEMBL229459 0.95 ESR1 (0.54) ESR1ESR2CYP26A1DRD3DRD2
SCHEMBL224273 0.94 ESR1 (0.56) ESR1ESR2CYP26A1DRD3DRD2
SCHEMBL229777 0.91 ESR1 (0.52) ESR1ESR2CYP26A1DRD3DRD2
SCHEMBL228191 0.91 ESR1 (0.51) ESR1ESR2CYP26A1DRD3DRD2
SCHEMBL229211 0.90 ESR1 (0.58) ESR1ESR2CYP26A1DRD3DRD2
SCHEMBL228623 0.90 ESR1 (0.48) ESR1ESR2CYP26A1DRD3DRD2
SCHEMBL228481 0.90 ESR1 (0.48) ESR1ESR2CYP26A1DRD3DRD2
SCHEMBL228747 0.90 ESR1 (0.52) ESR1ESR2CYP26A1DRD3DRD2
SCHEMBL228549 0.90 ESR1 (0.52) ESR1ESR2CYP26A1DRD3DRD2

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 3/4885CYP26A1 459/4885
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 21/4885CYP26A1 857/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885CYP26A1 440/4885

“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.