SCHEMBL7109917

SCHEMBL7109917

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

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
HRH3 Q9Y5N1 11/20 0.50
KMT2A Q03164 2/20 0.50
SLC6A4 P31645 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
KCNH2 Q12809 2/20 0.46
LTA4H P09960 1/20 0.44
HRH1 P35367 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL7109994 0.96 EBP (0.61) EBPSIGMAR1HRH3SLC6A4LTA4H
SCHEMBL7105837 0.95 EBP (0.62) EBPSIGMAR1HRH3LTA4H
SCHEMBL3869661 0.92 EBP (0.58) EBPSIGMAR1HRH3KMT2ASLC6A4
SCHEMBL7108683 0.90 EBP (0.59) EBPSIGMAR1HRH3KDM4ELTA4H
SCHEMBL7110375 0.90 EBP (0.56) EBPSIGMAR1HRH3SLC6A4LTA4H
SCHEMBL7521111 0.89 EBP (0.70) EBPSIGMAR1HRH3LTA4H
SCHEMBL3975634 0.88 EBP (0.72) EBPSIGMAR1HRH3LTA4H
SCHEMBL13897766 0.87 EBP (0.65) EBPSIGMAR1HRH3LTA4H
SCHEMBL7524285 0.87 EBP (0.65) EBPSIGMAR1HRH3LTA4H
SCHEMBL13897747 0.86 EBP (0.66) EBPSIGMAR1HRH3ALDH1A1LTA4H

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.