SCHEMBL226686

SCHEMBL226686

COc1ccc2c(c1)CC(C)(C)C(c1ccc(OC)cc1NCCCc1ccc(OCCN3CCCCCC3)cc1)=C2

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.44
LTA4H P09960 3/20 0.42
EBP Q15125 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MAOB P27338 1/20 0.40
PSMB1 P20618 1/20 0.39
PSMB5 P28074 1/20 0.39
PSMB2 P49721 1/20 0.39
HRH4 Q9H3N8 1/20 0.39

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
SCHEMBL229815 0.94 HRH3 (0.46) HRH3LTA4HEBPSIGMAR1MAOB
SCHEMBL226275 0.91 LTA4H (0.44) HRH3LTA4HEBPSIGMAR1MAOB
SCHEMBL228234 0.91 ESR1 (0.44) HRH3
SCHEMBL228379 0.86 HRH3 (0.45) HRH3LTA4H
SCHEMBL226687 0.85 ACACB (0.43) HRH3LTA4HEBPSIGMAR1MAOB
SCHEMBL228143 0.85 LTA4H (0.47) HRH3LTA4HEBPSIGMAR1MAOB
SCHEMBL229816 0.80 LTA4H (0.42) HRH3LTA4HEBPSIGMAR1MAOB
SCHEMBL226685 0.79 LTA4H (0.42) HRH3LTA4HEBPSIGMAR1MAOB
SCHEMBL229814 0.76 LTA4H (0.43) LTA4HEBPSIGMAR1
SCHEMBL224285 0.76 LTA4H (0.44) HRH3LTA4H

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
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-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 3180/4885EBP 123/4885
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 3104/4885EBP 51/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 HRH3 583/4885LTA4H 2984/4885EBP 107/4885

“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.