SCHEMBL7111179

SCHEMBL7111179

CCCCCCS(=O)(=O)OOC(C1=C(c2ccc(OC)c(Cl)c2)CCc2cc(OC)ccc21)c1ccc(OCCN2CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
ACHE P22303 1/20 0.39
HRH3 Q9Y5N1 4/20 0.39
LTA4H P09960 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MMP1 P03956 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37

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
SCHEMBL7111176 0.93 EBP (0.47) EBPSIGMAR1ESR1ESR2ACHE
SCHEMBL7110645 0.84 EBP (0.48) EBPSIGMAR1ESR1ESR2ACHE
SCHEMBL7113234 0.84 EBP (0.45) EBPSIGMAR1ACHEHRH3LTA4H
SCHEMBL7111251 0.84 EBP (0.53) EBPSIGMAR1ESR1ESR2ACHE
SCHEMBL7106831 0.81 EBP (0.56) EBPSIGMAR1ESR1ESR2ACHE
SCHEMBL7111248 0.80 EBP (0.53) EBPSIGMAR1ESR1ESR2ACHE
SCHEMBL7111796 0.79 EBP (0.56) EBPSIGMAR1ESR1ESR2HRH3
SCHEMBL7109918 0.78 EBP (0.57) EBPSIGMAR1ESR1ESR2HRH3
SCHEMBL7110644 0.77 EBP (0.49) EBPSIGMAR1ESR1ESR2ACHE
SCHEMBL7113233 0.77 EBP (0.46) EBPSIGMAR1ESR1ESR2ACHE

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.