SCHEMBL227629

SCHEMBL227629

COc1ccc(C2CCCc3cc(O[Si](C)(C)C(C)(C)C)ccc3C2)c(CCNCc2ccc(OCCN3CCCCCC3)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.39
MMP9 P14780 4/20 0.39
MMP13 P45452 4/20 0.39
LTA4H P09960 2/20 0.38
ESR1 P03372 3/20 0.38
ESR2 Q92731 2/20 0.38
HRH3 Q9Y5N1 5/20 0.36
BDKRB1 P46663 1/20 0.35
MAOB P27338 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
SCHEMBL228871 0.97 MMP1 (0.39) MMP1MMP9MMP13LTA4HESR1
SCHEMBL225171 0.89 ESR1 (0.39) ESR1ESR2HRH3MAOB
SCHEMBL226135 0.88 MEN1 (0.36) MMP1MMP9MMP13LTA4HESR1
SCHEMBL228675 0.88 ESR1 (0.39) ESR1ESR2HRH3BDKRB1
SCHEMBL226141 0.85 MMP1 (0.39) MMP1MMP9MMP13LTA4HESR1
SCHEMBL228397 0.84 LTA4H (0.39) MMP1MMP9MMP13LTA4HESR1
SCHEMBL227618 0.84 LTA4H (0.41) MMP1MMP9MMP13LTA4HESR1
SCHEMBL227630 0.82 MMP1 (0.40) MMP1MMP9MMP13LTA4HESR1
SCHEMBL2002702 0.82 NPY5R (0.36) ESR1ESR2
SCHEMBL226856 0.82 ESR1 (0.46) LTA4HESR1ESR2HRH3MAOB

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
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 (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 MMP1 3486/4885MMP9 4172/4885MMP13 3314/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 MMP1 3169/4885MMP9 4309/4885MMP13 3993/4885

“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.