SCHEMBL226135

SCHEMBL226135

COc1ccc(C2CCc3cc(O[Si](C)(C)C(C)(C)C)ccc3C2)c(CCNCc2ccc(OCCN3CCCCC3)c(F)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ESR1 P03372 3/20 0.35
ESR2 Q92731 3/20 0.35
LTA4H P09960 2/20 0.34
MMP1 P03956 3/20 0.33
MMP9 P14780 3/20 0.33
MMP13 P45452 3/20 0.33
HTR2A P28223 3/20 0.33
HRH3 Q9Y5N1 3/20 0.33
HTR2C P28335 2/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
MAOB P27338 1/20 0.32

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
SCHEMBL228871 0.92 MMP1 (0.39) ESR1ESR2LTA4HMMP1MMP9
SCHEMBL227594 0.89 LTA4H (0.39) MEN1KMT2AESR1ESR2LTA4H
SCHEMBL226472 0.88 LTA4H (0.36) ESR1ESR2LTA4HMMP1MMP9
SCHEMBL227629 0.88 MMP1 (0.39) ESR1ESR2LTA4HMMP1MMP9
SCHEMBL228971 0.87 ESR1 (0.41) MEN1KMT2AESR1ESR2LTA4H
SCHEMBL225171 0.87 ESR1 (0.39) ESR1ESR2HRH3MAOB
SCHEMBL226136 0.86 LTA4H (0.34) ESR1ESR2LTA4HMMP1MMP9
SCHEMBL228675 0.86 ESR1 (0.39) ESR1ESR2HTR2AHRH3
SCHEMBL225927 0.85 LTA4H (0.38) ESR1ESR2LTA4HHTR2AHRH3
SCHEMBL227885 0.84 ABCB1 (0.43) ESR1ESR2LTA4HHRH3HTR2C

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 7 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

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 MEN1 2262/4885KMT2A 371/4885ESR1 1/4885
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 MEN1 231/4885KMT2A 216/4885ESR1 34/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 MEN1 2539/4885KMT2A 455/4885ESR1 1/4885

“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.