SCHEMBL228676

SCHEMBL228676

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

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
CYP26A1 O43174 1/20 0.33
CYP19A1 P11511 1/20 0.33
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
SCHEMBL228872 0.91 LTA4H (0.39) HRH3
SCHEMBL225172 0.91 GRIN1 (0.34) SIGMAR1HRH3
SCHEMBL228677 0.83 HDAC1 (0.35) ACHEHDAC1HDAC6SIGMAR1HRH3
SCHEMBL4490050 0.81 LTA4H (0.39) SIGMAR1HRH3
SCHEMBL228674 0.81 ESR1 (0.53) ACHEHDAC1HDAC6SIGMAR1HRH3
SCHEMBL228675 0.80 ESR1 (0.39) ACHEHDAC1HDAC6SIGMAR1HRH3
SCHEMBL226103 0.80 DRD2 (0.39) ACHECYP26A1CYP19A1
SCHEMBL227186 0.76 DRD2 (0.35) ACHECYP26A1CYP19A1
SCHEMBL228873 0.75 LTA4H (0.40) HRH3
SCHEMBL225173 0.75 SIGMAR1 (0.36) SIGMAR1HRH3

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 ACHE 2597/4885HDAC1 128/4885HDAC6 2048/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ACHE 3172/4885HDAC1 157/4885HDAC6 2189/4885

“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.