SCHEMBL226250

SCHEMBL226250

COc1ccc2c(c1)CCC(c1ccc(OC)cc1N(Cc1ccc(OCCN3CCCC3)cc1)C(=O)C1CC1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.46
ESR2 Q92731 7/20 0.46
LTA4H P09960 2/20 0.43
MMP1 P03956 2/20 0.40
MMP9 P14780 2/20 0.40
MMP13 P45452 2/20 0.40
ADAM17 P78536 2/20 0.40
C5AR1 P21730 2/20 0.40
GPR183 P32249 1/20 0.39
ADGRF1 Q5T601 1/20 0.39
GPR65 Q8IYL9 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
MLNR O43193 1/20 0.39
NR1I2 O75469 1/20 0.39
NR3C1 P04150 1/20 0.39
CHRM2 P08172 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 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
SCHEMBL227845 0.91 ESR1 (0.45) ESR1ESR2LTA4HMMP1MMP9
SCHEMBL227374 0.85 LTA4H (0.47) ESR1ESR2LTA4HHRH3
SCHEMBL228163 0.84 ESR1 (0.54) ESR1ESR2LTA4HHRH3MLNR
SCHEMBL226484 0.84 ESR1 (0.58) ESR1ESR2LTA4HHRH3
SCHEMBL228940 0.84 ESR1 (0.58) ESR1ESR2LTA4HHRH3
SCHEMBL229014 0.84 ESR1 (0.52) ESR1ESR2LTA4HHRH3MLNR
SCHEMBL229398 0.83 ESR1 (0.54) ESR1ESR2LTA4HHRH3MLNR
SCHEMBL228687 0.83 ESR1 (0.54) ESR1ESR2LTA4HHRH3MLNR
SCHEMBL224721 0.83 ESR1 (0.54) ESR1ESR2LTA4HHRH3MLNR
SCHEMBL227750 0.83 ESR1 (0.49) ESR1ESR2LTA4HHRH3HRH1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885LTA4H 2984/4885

“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.