SCHEMBL226472

SCHEMBL226472

COc1ccc(C2CCc3cc(O[Si](C)(C)C(C)(C)C)ccc3C2)c(NCc2ccc(OCCN3CCCCC3)c(F)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.36
ROCK2 O75116 2/20 0.36
CDC42BPA Q5VT25 1/20 0.36
MMP1 P03956 3/20 0.35
MMP9 P14780 3/20 0.35
MMP13 P45452 3/20 0.35
ESR1 P03372 3/20 0.34
ESR2 Q92731 2/20 0.34
HRH3 Q9Y5N1 3/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
MAOB P27338 1/20 0.34
HTR2C P28335 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
SCHEMBL225927 0.97 LTA4H (0.38) LTA4HESR1ESR2HRH3HTR1A
SCHEMBL227567 0.92 LTA4H (0.42) LTA4HESR1ESR2HRH3MAOB
SCHEMBL227618 0.91 LTA4H (0.41) LTA4HMMP1MMP9MMP13ESR1
SCHEMBL1999767 0.89 LTA4H (0.40) LTA4HESR1ESR2HRH3HTR1A
SCHEMBL226136 0.88 LTA4H (0.34) LTA4HROCK2MMP1MMP9MMP13
SCHEMBL226135 0.88 MEN1 (0.36) LTA4HMMP1MMP9MMP13ESR1
SCHEMBL225986 0.88 HRH3 (0.42) LTA4HMMP1MMP9MMP13ESR1
SCHEMBL228220 0.88 CACNA1B (0.40) LTA4HESR1ESR2HRH3HTR2A
SCHEMBL15888973 0.87 ESR1 (0.42) LTA4HESR1ESR2HRH3DRD2
SCHEMBL226369 0.87 LTA4H (0.44) LTA4HESR1ESR2HRH3

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
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 LTA4H 3180/4885ROCK2 2002/4885CDC42BPA 1890/4885
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 LTA4H 3104/4885ROCK2 373/4885CDC42BPA 1444/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 LTA4H 2984/4885ROCK2 2147/4885CDC42BPA 1894/4885

“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.