SCHEMBL2741783

SCHEMBL2741783

COc1ccc(C2CCc3cc(O[Si](C)(C)C(C)(C)C)ccc3C2)c(N(CCO[Si](C)(C)C(C)(C)C)C(=O)c2ccc(OCCN3CCCCCC3)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.38
ESR2 Q92731 10/20 0.37
MMP1 P03956 3/20 0.35
MMP9 P14780 3/20 0.35
MMP13 P45452 3/20 0.35
KDM4E B2RXH2 1/20 0.35
PSMB1 P20618 1/20 0.35
PSMB5 P28074 1/20 0.35
PSMB2 P49721 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
HRH3 Q9Y5N1 1/20 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
SCHEMBL228461 0.88 ESR1 (0.41) ESR1ESR2
SCHEMBL224396 0.86 ESR1 (0.43) ESR1ESR2MMP1MMP9MMP13
SCHEMBL228870 0.81 ESR1 (0.51) ESR1ESR2MMP1MMP9MMP13
SCHEMBL226089 0.79 ESR1 (0.40) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL226140 0.78 ESR1 (0.47) ESR1ESR2MMP1MMP9MMP13
SCHEMBL4480980 0.78 ESR1 (0.47) ESR1ESR2MMP1MMP9MMP13
SCHEMBL227845 0.78 ESR1 (0.45) ESR1ESR2MMP1MMP9MMP13
SCHEMBL227618 0.77 LTA4H (0.41) ESR1ESR2MMP1MMP9MMP13
SCHEMBL228396 0.77 ESR1 (0.47) ESR1ESR2HRH3
SCHEMBL228873 0.77 LTA4H (0.40) ESR1ESR2MMP1MMP9MMP13

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 1 patent. 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

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 3/4885MMP1 3169/4885

“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.