SCHEMBL228355

SCHEMBL228355

Oc1ccc2c(c1)CCC(c1ccc(O)cc1NCCCc1ccc(O)c(F)c1)C2

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.42
ESR2 Q92731 7/20 0.42
GRIN2B Q13224 3/20 0.41
OPRK1 P41145 1/20 0.35
CYP19A1 P11511 1/20 0.34
SLC6A5 Q9Y345 1/20 0.34
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
HCAR2 Q8TDS4 1/20 0.34
CYP26A1 O43174 1/20 0.33
DRD4 P21917 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
SCHEMBL226145 0.89 GRIN2B (0.49) ESR1ESR2GRIN2BOPRK1CYP19A1
SCHEMBL228792 0.85 GRIN2B (0.58) ESR1ESR2GRIN2BSLC6A5
SCHEMBL227579 0.81 LTA4H (0.41) ESR1ESR2OPRK1DRD2DRD3
SCHEMBL225105 0.81 ESR1 (0.40) ESR1ESR2GRIN2BDRD2DRD3
SCHEMBL226723 0.81 LTA4H (0.41) ESR1ESR2OPRK1DRD2DRD3
SCHEMBL230233 0.79 ESR1 (0.55) ESR1ESR2GRIN2BCYP19A1DRD2
SCHEMBL229183 0.79 LTA4H (0.40) ESR1ESR2OPRK1DRD2DRD3
SCHEMBL224040 0.78 ESR1 (0.39) ESR1ESR2OPRK1DRD2DRD3
SCHEMBL225690 0.78 ESR1 (0.47) ESR1ESR2GRIN2BDRD2DRD3
SCHEMBL224719 0.78 ESR1 (0.47) ESR1ESR2GRIN2BDRD2DRD3

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 3/4885GRIN2B 1206/4885
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 21/4885GRIN2B 3266/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885GRIN2B 1434/4885

“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.