SCHEMBL227849

SCHEMBL227849

COc1ccc2cc(-c3cc(F)ccc3Nc3ccc(OCCN4CCCCC4)c(F)c3)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.46
HRH3 Q9Y5N1 2/20 0.46
ESR2 Q92731 1/20 0.45
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
KDR P35968 3/20 0.43
SRC P12931 2/20 0.43
MAPK14 Q16539 2/20 0.43
LCK P06239 1/20 0.43
MCHR1 Q99705 1/20 0.43
AXL P30530 1/20 0.42
PDGFRB P09619 1/20 0.42
ACP1 P24666 1/20 0.42
PTPN1 P18031 1/20 0.42

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
SCHEMBL227847 0.93 ESR1 (0.46) ESR1HRH3ESR2HTR2AHTR2C
SCHEMBL225746 0.90 MCHR1 (0.47) ESR1HRH3ESR2HTR2AHTR2C
SCHEMBL225734 0.90 ESR1 (0.47) ESR1ESR2HTR2AHTR2CKDR
SCHEMBL229252 0.89 ESR1 (0.52) ESR1HRH3ESR2HTR2AHTR2C
SCHEMBL223895 0.86 MCHR1 (0.46) ESR1ESR2KDRSRCMAPK14
SCHEMBL225139 0.86 AXL (0.46) ESR1ESR2HTR2AHTR2CKDR
SCHEMBL223988 0.82 ESR1 (0.52) ESR1HRH3ESR2KDRAXL
SCHEMBL228878 0.79 ESR1 (0.53) ESR1ESR2HTR2AHTR2CKDR
SCHEMBL227945 0.79 HTR2A (0.42) ESR1ESR2HTR2AHTR2CKDR
SCHEMBL228002 0.79 ESR1 (0.55) ESR1ESR2KDRSRCAXL

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 1/4885HRH3 561/4885ESR2 3/4885
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 34/4885HRH3 114/4885ESR2 21/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ESR1 1/4885HRH3 583/4885ESR2 3/4885

“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.