SCHEMBL229302

SCHEMBL229302

COc1ccc2c(c1)CCC(c1ccc(OC)cc1NC(C)Cc1ccc(OCCN3CCCCCC3)nc1)C2

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.38
LTA4H P09960 2/20 0.38
HRH3 Q9Y5N1 6/20 0.37
SLC6A4 P31645 3/20 0.37
MAOB P27338 1/20 0.37
BACE1 P56817 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
CDC42BPA Q5VT25 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
SCHEMBL228342 0.95 ESR1 (0.42) ROCK2HRH3SLC6A4ESR1ESR2
SCHEMBL226486 0.91 LTA4H (0.45) LTA4HHRH3MAOBESR1ESR2
SCHEMBL229230 0.89 ESR1 (0.39) LTA4HHRH3SLC6A4ESR1ESR2
SCHEMBL226127 0.88 LTA4H (0.40) ROCK2LTA4HHRH3SLC6A4MAOB
SCHEMBL228207 0.87 LTA4H (0.44) LTA4HHRH3MAOBESR1ESR2
SCHEMBL226737 0.86 ESR1 (0.45) LTA4HHRH3SLC6A4ESR1ESR2
SCHEMBL224553 0.86 ESR1 (0.45) LTA4HHRH3SLC6A4ESR1ESR2
SCHEMBL227141 0.85 F2 (0.41) LTA4HHRH3ESR1ESR2
SCHEMBL227585 0.85 LTA4H (0.39) LTA4HHRH3SLC6A4BACE1ESR1
SCHEMBL229531 0.85 HRH3 (0.45) LTA4HHRH3BACE1ESR1ESR2

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 8 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-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 ROCK2 2002/4885LTA4H 3180/4885HRH3 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 ROCK2 373/4885LTA4H 3104/4885HRH3 114/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ROCK2 2147/4885LTA4H 2984/4885HRH3 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.