SCHEMBL7109331

SCHEMBL7109331

COc1ccc2c(c1)CCC(c1ccc(F)cc1Cl)=C2C(OS(=O)(=O)Cc1ccccc1)c1ccc(OCCN2CCCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
ESR1 P03372 3/20 0.43
ESR2 Q92731 3/20 0.43
LTA4H P09960 5/20 0.42
HRH3 Q9Y5N1 3/20 0.41
IGF1R P08069 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
SCHEMBL7110081 0.83 EBP (0.51) EBPSIGMAR1ESR1ESR2LTA4H
SCHEMBL7112790 0.80 ESR1 (0.58) EBPSIGMAR1ESR1ESR2LTA4H
SCHEMBL7110644 0.79 EBP (0.49) EBPSIGMAR1ESR1ESR2LTA4H
SCHEMBL7106075 0.78 EBP (0.51) EBPSIGMAR1ESR1ESR2LTA4H
SCHEMBL7113233 0.76 EBP (0.46) EBPSIGMAR1ESR1ESR2LTA4H
SCHEMBL7111793 0.76 EBP (0.57) EBPSIGMAR1ESR1ESR2LTA4H
SCHEMBL7109915 0.75 EBP (0.58) EBPSIGMAR1ESR1ESR2LTA4H
SCHEMBL7111176 0.75 EBP (0.47) EBPSIGMAR1ESR1ESR2LTA4H
SCHEMBL7110875 0.74 EBP (0.58) EBPSIGMAR1ESR1ESR2LTA4H
SCHEMBL7106078 0.74 EBP (0.49) EBPSIGMAR1ESR1ESR2LTA4H

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-20030100754-A1 NAPHTHALENE COMPOUNDS, INTERMEDIATES, FORMULATIONS, AND METHODS ELI LILLY AND COMPANY 2003-05-29 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-20030100754-A1 NAPHTHALENE COMPOUNDS, INTERMEDIATES, FORMULATIONS, AND METHODS NDC1, SQLE, NQO1 EBP 1842/4885SIGMAR1 1661/4885ESR1 1044/4885

“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.