SCHEMBL228832

SCHEMBL228832

COc1ccc2c(c1)CCC(c1ccc(OC)cc1CCc1ccc(OCCN(C(C)C)C(C)C)cc1)C2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.44
DRD3 P35462 8/20 0.44
ESR1 P03372 3/20 0.43
ESR2 Q92731 3/20 0.43
CYP26A1 O43174 1/20 0.40
LTA4H P09960 1/20 0.40
CYP19A1 P11511 1/20 0.38
DRD4 P21917 2/20 0.37
KCNH2 Q12809 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
CYP24A1 Q07973 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL229598 0.89 ESR1 (0.49) DRD2DRD3ESR1ESR2CYP26A1
SCHEMBL224137 0.89 ESR1 (0.46) DRD2DRD3ESR1ESR2CYP26A1
SCHEMBL228631 0.89 DRD2 (0.40) DRD2DRD3ESR1ESR2CYP26A1
SCHEMBL4426078 0.86 ESR1 (0.43) DRD2DRD3ESR1ESR2CYP26A1
SCHEMBL229597 0.85 ESR1 (0.41) DRD2DRD3ESR1ESR2CYP26A1
SCHEMBL225969 0.83 ESR1 (0.40) DRD2DRD3ESR1ESR2CYP26A1
SCHEMBL226401 0.82 CYP26A1 (0.60) DRD2DRD3ESR1ESR2CYP26A1
SCHEMBL229972 0.81 LTA4H (0.49) ESR1ESR2LTA4H
SCHEMBL227766 0.81 LTA4H (0.49) ESR1ESR2LTA4H
SCHEMBL227998 0.80 ESR1 (0.46) 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 6 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-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-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 (2 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-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.