SCHEMBL227630

SCHEMBL227630

COc1ccc(C2CCCc3cc(O[Si](C)(C)C(C)(C)C)ccc3C2)c(C(C)(N)Cc2ccc(OCCN3CCCCCC3)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.40
MMP9 P14780 4/20 0.40
MMP13 P45452 4/20 0.40
LTA4H P09960 2/20 0.40
ESR1 P03372 5/20 0.40
ESR2 Q92731 3/20 0.40
HRH3 Q9Y5N1 4/20 0.39
MAOB P27338 1/20 0.36
PGR P06401 1/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD1 P21728 1/20 0.36
TBXA2R P21731 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36

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
SCHEMBL228873 0.96 LTA4H (0.40) MMP1MMP9MMP13LTA4HESR1
SCHEMBL225173 0.88 SIGMAR1 (0.36) ESR1ESR2HRH3MAOB
SCHEMBL228677 0.88 HDAC1 (0.35) HRH3KCNH2
SCHEMBL226140 0.83 ESR1 (0.47) MMP1MMP9MMP13LTA4HESR1
SCHEMBL4480980 0.83 ESR1 (0.47) MMP1MMP9MMP13LTA4HESR1
SCHEMBL226141 0.82 MMP1 (0.39) MMP1MMP9MMP13LTA4HESR1
SCHEMBL227629 0.82 MMP1 (0.39) MMP1MMP9MMP13LTA4HESR1
SCHEMBL228396 0.82 ESR1 (0.47) LTA4HESR1ESR2HRH3
SCHEMBL228397 0.82 LTA4H (0.39) MMP1MMP9MMP13LTA4HESR1
SCHEMBL227618 0.81 LTA4H (0.41) MMP1MMP9MMP13LTA4HESR1

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.