SCHEMBL4490050

SCHEMBL4490050

COc1ccc(C2CCc3cc(O[Si](C)(C)CC(C)C)ccc3C2)c(C(CN)Cc2ccc(OCCN3CCCCCC3)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.39
ESR1 P03372 5/20 0.39
ESR2 Q92731 4/20 0.39
HRH3 Q9Y5N1 6/20 0.37
MAOB P27338 1/20 0.35
EBP Q15125 1/20 0.34
SIGMAR1 Q99720 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
SCHEMBL228872 0.90 LTA4H (0.39) LTA4HESR1ESR2HRH3MAOB
SCHEMBL225172 0.81 GRIN1 (0.34) ESR1ESR2HRH3MAOBSIGMAR1
SCHEMBL228676 0.81 ACHE (0.34) HRH3SIGMAR1
SCHEMBL226855 0.79 LTA4H (0.45) LTA4HESR1ESR2HRH3MAOB
SCHEMBL227595 0.78 LTA4H (0.39) LTA4HESR1ESR2HRH3
SCHEMBL226486 0.77 LTA4H (0.45) LTA4HESR1ESR2HRH3MAOB
SCHEMBL227585 0.76 LTA4H (0.39) LTA4HESR1ESR2HRH3
SCHEMBL227766 0.75 LTA4H (0.49) LTA4HESR1ESR2HRH3MAOB
SCHEMBL229972 0.75 LTA4H (0.49) LTA4HESR1ESR2HRH3MAOB
SCHEMBL226141 0.74 MMP1 (0.39) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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 3104/4885ESR1 34/4885ESR2 21/4885

“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.