SCHEMBL7106662

SCHEMBL7106662

Cc1ccccc1C1=C(C(OCCCCS(=O)(=O)O)c2ccc(OCCN3CCCCC3)cc2)c2ccccc2CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
HRH3 Q9Y5N1 6/20 0.43
HRH1 P35367 3/20 0.43
DRD3 P35462 3/20 0.43
MCHR1 Q99705 1/20 0.42
CHRNA7 P36544 1/20 0.41
DRD2 P14416 2/20 0.40
DRD1 P21728 2/20 0.40
LTA4H P09960 2/20 0.40
PSMB1 P20618 4/20 0.40
PSMB5 P28074 4/20 0.40
EBP Q15125 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CACNA1B Q00975 1/20 0.39
DRD5 P21918 1/20 0.38
PSMB2 P49721 2/20 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
SCHEMBL7113231 0.84 EBP (0.46) ESR1ESR2HRH3MCHR1LTA4H
SCHEMBL7106664 0.83 LTA4H (0.41) ESR1ESR2HRH3HRH1DRD3
SCHEMBL7106665 0.82 LTA4H (0.40) ESR1ESR2HRH3HRH1DRD3
SCHEMBL7110262 0.81 LTA4H (0.57) ESR1ESR2HRH3MCHR1LTA4H
SCHEMBL7113004 0.72 ESR1 (0.49) ESR1ESR2MCHR1EBPSIGMAR1
SCHEMBL7113006 0.72 ESR1 (0.49) ESR1ESR2MCHR1EBPSIGMAR1
SCHEMBL7110146 0.71 EBP (0.53) ESR1ESR2HRH3MCHR1LTA4H
SCHEMBL7110148 0.70 EBP (0.53) ESR1ESR2HRH3MCHR1LTA4H
SCHEMBL9055095 0.69 LTA4H (0.56) ESR1HRH3DRD3MCHR1DRD2
SCHEMBL7106075 0.69 EBP (0.51) ESR1ESR2HRH3MCHR1LTA4H

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 ESR1 1044/4885ESR2 2130/4885HRH3 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.