SCHEMBL7107599

SCHEMBL7107599

COc1cccc(C2=C(C(OOS(=O)(=O)c3ccc(C)cc3)c3ccc(OCCCN4CCCCC4)cc3)c3ccc(OC)cc3CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
HRH3 Q9Y5N1 11/20 0.43
SLC6A4 P31645 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
AVPR1B P47901 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KCNH2 Q12809 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
SCHEMBL7107596 0.94 EBP (0.49) EBPSIGMAR1HRH3SLC6A4KDM4E
SCHEMBL7111796 0.86 EBP (0.56) EBPSIGMAR1HRH3SLC6A4
SCHEMBL7106078 0.86 EBP (0.49) EBPSIGMAR1HRH3KCNH2
SCHEMBL7109918 0.86 EBP (0.57) EBPSIGMAR1HRH3
SCHEMBL7111793 0.83 EBP (0.57) EBPSIGMAR1HRH3SLC6A4
SCHEMBL7110148 0.82 EBP (0.53) EBPSIGMAR1HRH3
SCHEMBL7109915 0.82 EBP (0.58) EBPSIGMAR1HRH3
SCHEMBL7109917 0.81 EBP (0.56) EBPSIGMAR1HRH3SLC6A4KDM4E
SCHEMBL7106075 0.79 EBP (0.51) EBPSIGMAR1HRH3KCNH2
SCHEMBL7110146 0.78 EBP (0.53) EBPSIGMAR1HRH3SLC6A4

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 1661/4885HRH3 1647/4885

“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.