SCHEMBL228677

SCHEMBL228677

COc1ccc(C2CCc3cc(O[Si](C)(C)C(C)(C)C)ccc3C2)c(C(C)(N)Cc2ccc(CN3CCCCCC3)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
DRD2 P14416 1/20 0.35
KCNH2 Q12809 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
CYP26A1 O43174 1/20 0.34
CYP19A1 P11511 1/20 0.34
ACHE P22303 1/20 0.34
MCHR1 Q99705 1/20 0.34
CASP3 P42574 1/20 0.33
CASP7 P55210 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
SCHEMBL225173 0.91 SIGMAR1 (0.36) SIGMAR1HRH3
SCHEMBL228873 0.91 LTA4H (0.40) KCNH2HRH3
SCHEMBL227630 0.88 MMP1 (0.40) KCNH2HRH3
SCHEMBL228676 0.83 ACHE (0.34) HDAC1HDAC6SIGMAR1HRH3CYP26A1
SCHEMBL228674 0.82 ESR1 (0.53) HDAC1HDAC6SIGMAR1DRD2HRH3
SCHEMBL228675 0.81 ESR1 (0.39) HDAC1HDAC6SIGMAR1HRH3ACHE
SCHEMBL227618 0.75 LTA4H (0.41) HRH3
SCHEMBL228872 0.75 LTA4H (0.39) HRH3
SCHEMBL225172 0.75 GRIN1 (0.34) SIGMAR1HRH3
SCHEMBL225179 0.75 DRD2 (0.41) DRD2CYP26A1CYP19A1ACHE

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 6 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
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 (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 HDAC1 128/4885HDAC6 2048/4885SIGMAR1 2885/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 HDAC1 157/4885HDAC6 2189/4885SIGMAR1 743/4885

“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.