SCHEMBL228675

SCHEMBL228675

COc1ccc(C2CCc3cc(O[Si](C)(C)C(C)(C)C)ccc3C2)c(CCNCc2ccc(CN3CCCCCC3)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MCHR1 Q99705 4/20 0.35
CXCR4 P61073 1/20 0.34
MLNR O43193 1/20 0.34
HTR2A P28223 3/20 0.34
CHRM1 P11229 2/20 0.34
BDKRB1 P46663 1/20 0.34
ACP1 P24666 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ACHE P22303 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
SCHEMBL225171 0.92 ESR1 (0.39) ESR1ESR2SIGMAR1HRH3
SCHEMBL228871 0.92 MMP1 (0.39) ESR1ESR2HRH3
SCHEMBL227629 0.88 MMP1 (0.39) ESR1ESR2BDKRB1HRH3
SCHEMBL226135 0.86 MEN1 (0.36) ESR1ESR2HTR2AHRH3
SCHEMBL228677 0.81 HDAC1 (0.35) HDAC1HDAC6MCHR1SIGMAR1HRH3
SCHEMBL228674 0.80 ESR1 (0.53) ESR1ESR2HDAC1HDAC6MCHR1
SCHEMBL228676 0.80 ACHE (0.34) HDAC1HDAC6SIGMAR1HRH3ACHE
SCHEMBL226102 0.78 CYP19A1 (0.39) ESR1ESR2HTR2AACHE
SCHEMBL227618 0.78 LTA4H (0.41) ESR1ESR2HRH3
SCHEMBL226856 0.76 ESR1 (0.46) ESR1ESR2SIGMAR1HRH3

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 21/4885HDAC1 128/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885HDAC1 157/4885

“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.