SCHEMBL228745

SCHEMBL228745

CCN(Cc1ccc(OCCNCCCOC)cc1)c1ccccc1C1CCc2cc(O)ccc2C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.61
ESR2 Q92731 1/20 0.61
KDM4E B2RXH2 4/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
MCHR1 Q99705 1/20 0.37
GRIN2B Q13224 2/20 0.34
CYP26A1 O43174 1/20 0.34
ADRB2 P07550 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL228913 0.92 ESR1 (0.67) ESR1ESR2DRD2DRD4DRD3
SCHEMBL227678 0.92 ESR1 (0.74) ESR1ESR2KDM4ELMNAMEN1
SCHEMBL228274 0.90 ESR1 (0.72) ESR1ESR2KDM4ELMNAMEN1
SCHEMBL225219 0.89 ESR1 (0.61) ESR1ESR2LMNAMCHR1CYP26A1
SCHEMBL227609 0.88 ESR1 (0.76) ESR1ESR2DRD2DRD3MCHR1
SCHEMBL228744 0.88 ESR1 (0.57) ESR1ESR2MEN1KMT2ADRD2
SCHEMBL226940 0.88 ESR1 (0.60) ESR1ESR2KDM4ELMNAMEN1
SCHEMBL228628 0.85 ESR1 (0.57) ESR1ESR2CYP1A2CYP2D6CYP2C19
SCHEMBL226954 0.85 ESR1 (0.57) ESR1ESR2KDM4ELMNAMEN1
SCHEMBL228170 0.85 ESR1 (0.76) ESR1ESR2DRD2DRD4DRD3

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-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-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 ESR1 34/4885ESR2 21/4885KDM4E 577/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885KDM4E 718/4885

“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.