SCHEMBL228976

SCHEMBL228976

COc1ccc(C2CCc3cc(OC)cc(Oc4ccc(OCCN(C(C)C)C(C)C)cc4)c3C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.40
ESR1 P03372 5/20 0.38
ESR2 Q92731 5/20 0.38
LTA4H P09960 1/20 0.37
SLC6A4 P31645 3/20 0.36
HRH3 Q9Y5N1 3/20 0.36
PTPN1 P18031 1/20 0.35
PPARD Q03181 1/20 0.35
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
DRD2 P14416 3/20 0.34
DRD3 P35462 3/20 0.34
DRD4 P21917 2/20 0.34

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
SCHEMBL229930 0.87 ESR1 (0.45) MCHR1ESR1ESR2LTA4H
SCHEMBL4416568 0.86 DRD2 (0.38) LTA4HPPARDDRD2DRD3
SCHEMBL228763 0.82 MAOB (0.48) HRH3
SCHEMBL228599 0.81 HRH3 (0.47) ESR1ESR2LTA4HSLC6A4HRH3
SCHEMBL229209 0.81 HRH3 (0.47) ESR1ESR2LTA4HSLC6A4HRH3
SCHEMBL224746 0.80 CYP26A1 (0.43) ESR2LTA4HDRD2DRD3
SCHEMBL13626785 0.78 ESR1 (0.36) ESR1ESR2LTA4H
SCHEMBL13626790 0.74 ESR1 (0.37) ESR1ESR2LTA4HDRD2DRD3
SCHEMBL224561 0.70 ALOX12 (0.47) DRD2DRD3
SCHEMBL228832 0.67 DRD2 (0.44) ESR1ESR2LTA4HDRD2DRD3

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-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 (2 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-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 MCHR1 1267/4885ESR1 34/4885ESR2 21/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 MCHR1 814/4885ESR1 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.