SCHEMBL7110644

SCHEMBL7110644

CCCS(=O)(=O)OC(C1=C(c2ccc(OC)cc2OC)CCc2cc(OC)ccc21)c1ccc(OCCN2CCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
HRH3 Q9Y5N1 5/20 0.46
ACHE P22303 1/20 0.41
MAOB P27338 1/20 0.41
PSMB1 P20618 1/20 0.40
PSMB5 P28074 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
LTA4H P09960 2/20 0.40

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
SCHEMBL7110645 0.92 EBP (0.48) EBPSIGMAR1HRH3ACHEMAOB
SCHEMBL7113233 0.87 EBP (0.46) EBPSIGMAR1HRH3ACHEMAOB
SCHEMBL7111176 0.84 EBP (0.47) EBPSIGMAR1HRH3ACHEESR1
SCHEMBL7109616 0.82 EBP (0.56) EBPSIGMAR1HRH3ACHEMAOB
SCHEMBL7106075 0.82 EBP (0.51) EBPSIGMAR1HRH3ACHEMAOB
SCHEMBL7111248 0.81 EBP (0.53) EBPSIGMAR1HRH3ACHEMAOB
SCHEMBL7113234 0.80 EBP (0.45) EBPSIGMAR1HRH3ACHEMAOB
SCHEMBL7109331 0.79 EBP (0.50) EBPSIGMAR1HRH3ESR1ESR2
SCHEMBL7111793 0.79 EBP (0.57) EBPSIGMAR1HRH3MAOBPSMB1
SCHEMBL7109915 0.78 EBP (0.58) EBPSIGMAR1HRH3MAOBESR1

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.