SCHEMBL226408

SCHEMBL226408

COc1ccc2c(c1)CCC(c1nc(OC)ccc1NCc1ccc(OCCN3CCCCC3)c(F)c1)C2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.39
ROCK2 O75116 2/20 0.37
HRH3 Q9Y5N1 2/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
POLB P06746 1/20 0.36
HTR2C P28335 2/20 0.36
IGF1R P08069 1/20 0.36
TLR7 Q9NYK1 1/20 0.35
CDC42BPA Q5VT25 1/20 0.35
BACE1 P56817 1/20 0.35
CACNA1B Q00975 1/20 0.35

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
SCHEMBL227567 0.87 LTA4H (0.42) LTA4HHRH3HTR2CBACE1CACNA1B
SCHEMBL1999847 0.87 LTA4H (0.40) LTA4HROCK2HRH3HTR1ADRD2
SCHEMBL226369 0.86 LTA4H (0.44) LTA4HHRH3BACE1CACNA1B
SCHEMBL1999767 0.85 LTA4H (0.40) LTA4HHRH3HTR1ADRD2HTR2A
SCHEMBL229632 0.84 LTA4H (0.41) LTA4HHRH3HTR2CBACE1CACNA1B
SCHEMBL226792 0.84 ESR1 (0.39) LTA4HHRH3HTR1ADRD2HTR2A
SCHEMBL228220 0.83 CACNA1B (0.40) LTA4HHRH3HTR2AHTR2CCACNA1B
SCHEMBL226472 0.82 LTA4H (0.36) LTA4HROCK2HRH3HTR1ADRD2
SCHEMBL15888973 0.82 ESR1 (0.42) LTA4HHRH3DRD2HTR2AHTR2C
SCHEMBL225145 0.80 LTA4H (0.41) LTA4HROCK2HRH3HTR2CBACE1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7960412-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-14 US disclosed
US-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR RADIUS HEALTH, INC. 2009-12-31 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 (3 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-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR ESR1, GPER1, ESR2 LTA4H 3180/4885ROCK2 2002/4885HRH3 561/4885
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 3104/4885ROCK2 373/4885HRH3 114/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 LTA4H 2984/4885ROCK2 2147/4885HRH3 583/4885

“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.