SCHEMBL7106664

SCHEMBL7106664

CCCCS(=O)(=O)OC(C1=C(c2ccccc2C)CCc2ccccc21)c1ccc(OCCN2CCCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.41
PSMB1 P20618 1/20 0.40
PSMB5 P28074 1/20 0.40
HRH3 Q9Y5N1 8/20 0.40
HRH1 P35367 3/20 0.40
DRD3 P35462 3/20 0.40
EBP Q15125 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MCHR1 Q99705 1/20 0.40
ESR1 P03372 4/20 0.39
DRD2 P14416 2/20 0.39
DRD1 P21728 2/20 0.39
ALDH1A1 P00352 1/20 0.39
DRD5 P21918 1/20 0.39
ESR2 Q92731 1/20 0.38

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
SCHEMBL7106665 0.92 LTA4H (0.40) LTA4HPSMB1PSMB5HRH3HRH1
SCHEMBL7113233 0.84 EBP (0.46) LTA4HHRH3EBPSIGMAR1ESR1
SCHEMBL7106662 0.83 ESR1 (0.44) LTA4HPSMB1PSMB5HRH3HRH1
SCHEMBL7110262 0.79 LTA4H (0.57) LTA4HPSMB1PSMB5HRH3EBP
SCHEMBL7110644 0.78 EBP (0.49) LTA4HPSMB1PSMB5HRH3EBP
SCHEMBL7113234 0.77 EBP (0.45) LTA4HHRH3EBPSIGMAR1ALDH1A1
SCHEMBL7111176 0.75 EBP (0.47) LTA4HHRH3EBPSIGMAR1ESR1
SCHEMBL7110146 0.75 EBP (0.53) LTA4HPSMB1PSMB5HRH3EBP
SCHEMBL7113004 0.75 ESR1 (0.49) EBPSIGMAR1MCHR1ESR1ESR2
SCHEMBL7106075 0.72 EBP (0.51) LTA4HHRH3EBPSIGMAR1MCHR1

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 LTA4H 418/4885PSMB1 3230/4885PSMB5 2577/4885

“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.