SCHEMBL228599

SCHEMBL228599

COc1ccc(C2CCc3cc(OC)cc(Oc4ccc(OCCN5CCCCC5)cc4)c3C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.47
LTA4H P09960 1/20 0.47
KCNH2 Q12809 4/20 0.46
ESR1 P03372 5/20 0.45
ESR2 Q92731 3/20 0.45
SLC6A4 P31645 2/20 0.44
HTR2C P28335 1/20 0.44
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43

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
SCHEMBL229209 1.00 HRH3 (0.47) HRH3LTA4HKCNH2ESR1ESR2
SCHEMBL228570 0.85 ESR1 (0.56) HRH3KCNH2ESR1ESR2SLC6A4
SCHEMBL2741777 0.85 ESR1 (0.56) HRH3KCNH2ESR1ESR2SLC6A4
SCHEMBL4416568 0.84 DRD2 (0.38) LTA4HCYP3A4
SCHEMBL228976 0.81 MCHR1 (0.40) HRH3LTA4HESR1ESR2SLC6A4
SCHEMBL228763 0.79 MAOB (0.48) HRH3
SCHEMBL224746 0.78 CYP26A1 (0.43) LTA4HESR2CYP3A4
SCHEMBL228565 0.76 ESR1 (0.52) ESR1ESR2
SCHEMBL229007 0.75 ESR1 (0.49) HRH3KCNH2ESR1ESR2CYP3A4
SCHEMBL6421381 0.73 LTA4H (0.49) HRH3LTA4HKCNH2ESR1ESR2

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 HRH3 561/4885LTA4H 3180/4885KCNH2 1700/4885
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 3104/4885KCNH2 1014/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 HRH3 583/4885LTA4H 2984/4885KCNH2 1642/4885

“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.