SCHEMBL226940

SCHEMBL226940

CCN(Cc1ccc(OCCNCCCCOC)cc1)c1cc(OC)c(OC)cc1C1CCc2cc(O)ccc2C1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.60
ESR2 Q92731 1/20 0.60
MCHR1 Q99705 1/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
ADRB2 P07550 2/20 0.34
CYP26A1 O43174 1/20 0.34
HTT P42858 1/20 0.34
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 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
SCHEMBL225219 0.98 ESR1 (0.61) ESR1ESR2MCHR1LMNAPPARD
SCHEMBL228553 0.93 ESR1 (0.63) ESR1ESR2PPARDPPARABCHE
SCHEMBL228274 0.92 ESR1 (0.72) ESR1ESR2MCHR1LMNAKDM4E
SCHEMBL226544 0.91 ESR1 (0.68) ESR1ESR2LMNAMEN1KMT2A
SCHEMBL227678 0.90 ESR1 (0.74) ESR1ESR2MCHR1LMNAKDM4E
SCHEMBL1999817 0.90 ESR1 (0.62) ESR1ESR2MCHR1PPARDPPARA
SCHEMBL227086 0.90 ESR1 (0.52) ESR1ESR2PPARDPPARAADRA1D
SCHEMBL228023 0.90 ESR1 (0.60) ESR1ESR2KDM4EPPARDPPARA
SCHEMBL15888958 0.89 ESR1 (0.63) ESR1ESR2LMNAMEN1KMT2A
SCHEMBL229056 0.89 ESR1 (0.61) ESR1ESR2LMNAKMT2APPARD

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 5 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
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 (1 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-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885MCHR1 814/4885

“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.