SCHEMBL229531

SCHEMBL229531

COc1ccc2c(c1)CCC(c1ccccc1NC(C)Cc1ccc(OCCN3CCCCCC3)cc1)C2

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.45
LTA4H P09960 4/20 0.44
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
ACACB O00763 2/20 0.43
EBP Q15125 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
BACE1 P56817 1/20 0.41
KCNH2 Q12809 1/20 0.40

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
SCHEMBL229525 0.96 LTA4H (0.43) HRH3LTA4HESR1ESR2ACACB
SCHEMBL226486 0.94 LTA4H (0.45) HRH3LTA4HESR1ESR2ACACB
SCHEMBL229488 0.92 HRH3 (0.44) HRH3LTA4HESR1ESR2EBP
SCHEMBL226876 0.91 ESR1 (0.49) HRH3ESR1ESR2ACACBKCNH2
SCHEMBL228207 0.90 LTA4H (0.44) HRH3LTA4HESR1ESR2ACACB
SCHEMBL228509 0.89 ESR1 (0.46) HRH3ESR1ESR2ACACBKCNH2
SCHEMBL224553 0.88 ESR1 (0.45) HRH3LTA4HESR1ESR2ACACB
SCHEMBL226497 0.88 ESR1 (0.45) HRH3ESR1ESR2ACACBKCNH2
SCHEMBL226737 0.88 ESR1 (0.45) HRH3LTA4HESR1ESR2ACACB
SCHEMBL228412 0.88 LTA4H (0.44) HRH3LTA4HESR1ESR2ACACB

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 HRH3 561/4885LTA4H 3180/4885ESR1 1/4885
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 HRH3 114/4885LTA4H 3104/4885ESR1 34/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 HRH3 583/4885LTA4H 2984/4885ESR1 1/4885

“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.