SCHEMBL7109994

SCHEMBL7109994

COc1cccc(C2=C(C(O)c3ccc(OCCN4CCCCC4)cc3)c3ccc(OC)cc3CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.61
SIGMAR1 Q99720 1/20 0.61
LTA4H P09960 4/20 0.50
HRH3 Q9Y5N1 4/20 0.48
ESR1 P03372 4/20 0.48
ESR2 Q92731 3/20 0.48
BACE1 P56817 1/20 0.46
PSMB1 P20618 1/20 0.45
PSMB5 P28074 1/20 0.45
SLC6A4 P31645 1/20 0.45

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
SCHEMBL7105837 0.99 EBP (0.62) EBPSIGMAR1LTA4HHRH3ESR1
SCHEMBL7109917 0.96 EBP (0.56) EBPSIGMAR1LTA4HHRH3SLC6A4
SCHEMBL7108683 0.94 EBP (0.59) EBPSIGMAR1LTA4HHRH3ESR1
SCHEMBL7110375 0.94 EBP (0.56) EBPSIGMAR1LTA4HHRH3ESR1
SCHEMBL7521111 0.94 EBP (0.70) EBPSIGMAR1LTA4HHRH3ESR1
SCHEMBL3975634 0.93 EBP (0.72) EBPSIGMAR1LTA4HHRH3ESR1
SCHEMBL7524285 0.92 EBP (0.65) EBPSIGMAR1LTA4HHRH3ESR1
SCHEMBL13897766 0.92 EBP (0.65) EBPSIGMAR1LTA4HHRH3ESR1
SCHEMBL13897747 0.91 EBP (0.66) EBPSIGMAR1LTA4HHRH3ESR1
SCHEMBL7109841 0.90 EBP (0.57) EBPSIGMAR1LTA4HHRH3ESR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832880-B1 Dihydrobenzofluorene compounds, intermediates, compositions, and methods LILLY CO ELI (US) 2003-07-02 EP disclosed
US-20030100754-A1 NAPHTHALENE COMPOUNDS, INTERMEDIATES, FORMULATIONS, AND METHODS ELI LILLY AND COMPANY 2003-05-29 US disclosed
US-5792762-A TREATING BONE DISORDER, OSTEOPOROSIS, CARDIOVASCULAR DISORDER; ANTICHOLESTEROL AGENTS ELI LILLY AND COMPANY (US) 1998-08-11 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 1661/4885LTA4H 418/4885

“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.