SCHEMBL228631

SCHEMBL228631

COc1ccc2c(c1)CCC(c1ccc(OC)cc1CCc1ccc(OCCN(C(C)C)C(C)C)c(F)c1)C2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.40
DRD3 P35462 7/20 0.40
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
CYP26A1 O43174 1/20 0.36
CYP19A1 P11511 1/20 0.34
MCHR1 Q99705 2/20 0.34
NPY5R Q15761 1/20 0.34
DRD4 P21917 2/20 0.33
ABCB1 P08183 2/20 0.33
PTPN1 P18031 1/20 0.33
CYP24A1 Q07973 1/20 0.33

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
SCHEMBL228832 0.89 DRD2 (0.44) DRD2DRD3ESR1ESR2CYP26A1
SCHEMBL224082 0.88 ESR1 (0.38) DRD2DRD3ESR1ESR2CYP26A1
SCHEMBL226027 0.86 ESR1 (0.39) DRD2DRD3ESR1ESR2CYP26A1
SCHEMBL227513 0.85 ESR1 (0.37) DRD2DRD3ESR1ESR2CYP26A1
SCHEMBL226026 0.84 ESR1 (0.53) DRD2DRD3ESR1ESR2CYP26A1
SCHEMBL226028 0.84 ESR1 (0.38) DRD2DRD3ESR1ESR2CYP26A1
SCHEMBL225227 0.84 ABCB1 (0.43) ESR1ESR2ABCB1
SCHEMBL227885 0.84 ABCB1 (0.43) ESR1ESR2ABCB1
SCHEMBL223933 0.82 MCHR1 (0.40) DRD2DRD3ESR1ESR2MCHR1
SCHEMBL226402 0.80 CYP26A1 (0.47) DRD2DRD3ESR1ESR2CYP26A1

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 DRD2 2301/4885DRD3 1675/4885ESR1 1/4885
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 DRD2 2692/4885DRD3 1808/4885ESR1 34/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 DRD2 1993/4885DRD3 1503/4885ESR1 1/4885

“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.