SCHEMBL2741802

SCHEMBL2741802

COc1ccc([C@@H]2CCc3cc(OC(=O)C(C)(C)C)ccc3C2)c(N(CC(C)=O)C(=O)c2ccc(CC(=O)O)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
CYP26A1 O43174 2/20 0.36
MCHR1 Q99705 2/20 0.35
SLC6A9 P48067 1/20 0.34
ACHE P22303 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
DRD2 P14416 4/20 0.34
DRD3 P35462 4/20 0.34
ALDH1A1 P00352 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
PPARD Q03181 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
PTGS1 P23219 1/20 0.32

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
SCHEMBL2741782 0.92 ESR1 (0.43) ESR1ESR2CYP26A1MCHR1SLC6A9
SCHEMBL225408 0.91 ESR1 (0.41) ESR1ESR2CYP26A1MCHR1SLC6A9
SCHEMBL2741786 0.86 ESR1 (0.39) ESR1ESR2CYP26A1MCHR1SLC6A9
SCHEMBL2741794 0.84 ESR1 (0.37) ESR1ESR2CYP26A1MCHR1ACHE
SCHEMBL2741789 0.84 ESR1 (0.36) ESR1ESR2CYP26A1MCHR1ACHE
SCHEMBL228048 0.84 ESR1 (0.43) ESR1ESR2CYP26A1MCHR1ACHE
SCHEMBL226309 0.84 ESR1 (0.48) ESR1ESR2CYP26A1MCHR1ACHE
SCHEMBL227723 0.84 ESR1 (0.48) ESR1ESR2CYP26A1MCHR1ACHE
SCHEMBL224270 0.84 ESR1 (0.48) ESR1ESR2CYP26A1MCHR1ACHE
SCHEMBL227275 0.83 ESR1 (0.40) ESR1ESR2CYP26A1MCHR1SLC6A9

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-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

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 3/4885CYP26A1 440/4885

“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.