SCHEMBL228962

SCHEMBL228962

COc1ccc(C2Cc3cc(OC)cc(CNCc4ccc(OCCN5CCCCCC5)cc4)c3C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.49
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
MMP1 P03956 4/20 0.43
MMP9 P14780 4/20 0.43
MMP13 P45452 4/20 0.43
HRH3 Q9Y5N1 6/20 0.42
SLC6A4 P31645 2/20 0.42
PSMB1 P20618 1/20 0.42
PSMB5 P28074 1/20 0.42
PSMB2 P49721 1/20 0.42
ADAM17 P78536 1/20 0.42
KCNH2 Q12809 2/20 0.42
MCHR1 Q99705 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL6421381 0.80 LTA4H (0.49) LTA4HESR1ESR2MMP1MMP9
SCHEMBL228961 0.80 LTA4H (0.48) LTA4HESR1ESR2HRH3SLC6A4
SCHEMBL227373 0.79 LTA4H (0.47) LTA4HESR1ESR2HRH3PSMB1
SCHEMBL228204 0.77 LTA4H (0.57) LTA4HESR1MMP1MMP9MMP13
SCHEMBL229209 0.73 HRH3 (0.47) LTA4HESR1ESR2HRH3SLC6A4
SCHEMBL228599 0.73 HRH3 (0.47) LTA4HESR1ESR2HRH3SLC6A4
SCHEMBL227376 0.73 LTA4H (0.51) LTA4HESR1ESR2HRH3PSMB1
SCHEMBL228208 0.73 EBP (0.47) LTA4HESR1MMP1MMP9MMP13
SCHEMBL226856 0.72 ESR1 (0.46) LTA4HESR1ESR2HRH3
SCHEMBL14970684 0.71 LTA4H (0.82) LTA4HHRH3PSMB1PSMB5PSMB2

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-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

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 3180/4885ESR1 1/4885ESR2 3/4885
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 3104/4885ESR1 34/4885ESR2 21/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 LTA4H 2984/4885ESR1 1/4885ESR2 3/4885

“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.