SCHEMBL228047

SCHEMBL228047

COc1ccc2c(c1)CCC(c1ccc(OC)cc1Nc1ccc(OCCN3CCCCC3)c(F)c1)C2(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.39
LCK P06239 1/20 0.39
SRC P12931 1/20 0.39
MAPK14 Q16539 1/20 0.39
ESR1 P03372 5/20 0.38
ESR2 Q92731 3/20 0.38
AXL P30530 1/20 0.38
HTR2C P28335 2/20 0.37
EGFR P00533 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
PGR P06401 1/20 0.37
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD1 P21728 1/20 0.37
TBXA2R P21731 1/20 0.37
PTGS1 P23219 1/20 0.37
SLC6A2 P23975 1/20 0.37

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
SCHEMBL228203 0.88 KDR (0.46) KDRESR1ESR2
SCHEMBL226683 0.88 LTA4H (0.40) ESR1ESR2HTR2CHRH3PGR
SCHEMBL227855 0.85 KDR (0.40) KDRLCKSRCMAPK14ESR1
SCHEMBL228597 0.85 KDR (0.40) KDRLCKSRCMAPK14ESR1
SCHEMBL228060 0.80 LTA4H (0.39) ESR1ESR2HTR2CHRH3PGR
SCHEMBL229193 0.78 MAPK14 (0.38) KDRLCKSRCMAPK14ESR1
SCHEMBL226814 0.74 HRH3 (0.46) ESR1ESR2HRH3SLC6A4
SCHEMBL225012 0.74 HRH3 (0.46) ESR1ESR2HRH3SLC6A4
SCHEMBL225734 0.74 ESR1 (0.47) KDRLCKSRCMAPK14ESR1
SCHEMBL227949 0.73 MCHR1 (0.45) KDRLCKSRCMAPK14ESR1

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 KDR 942/4885LCK 2583/4885SRC 1416/4885
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 KDR 3272/4885LCK 2433/4885SRC 1750/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 KDR 884/4885LCK 2508/4885SRC 1423/4885

“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.