SCHEMBL7110414

SCHEMBL7110414

COc1cccc(C2=C(C(=O)c3ccc(OCCN4CCCC4)cc3)c3ccc(OC)cc3CC2)c1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.71
ESR2 Q92731 7/20 0.71
EBP Q15125 1/20 0.61
SIGMAR1 Q99720 1/20 0.61
LTA4H P09960 2/20 0.51
PSMB1 P20618 1/20 0.50
PSMB5 P28074 1/20 0.50
PSMB2 P49721 1/20 0.50
MCHR1 Q99705 1/20 0.49
DRD2 P14416 2/20 0.48
DRD3 P35462 2/20 0.48
HRH3 Q9Y5N1 2/20 0.48
GCGR P47871 1/20 0.46

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
SCHEMBL7105763 0.99 ESR1 (0.72) ESR1ESR2EBPSIGMAR1LTA4H
Hydrochloric Acid SCHEMBL7153807 0.98 ESR1 (0.71) ESR1ESR2EBPSIGMAR1LTA4H
SCHEMBL8476709 0.95 ESR1 (0.67) ESR1ESR2EBPSIGMAR1LTA4H
SCHEMBL7112996 0.95 ESR1 (0.66) ESR1ESR2EBPSIGMAR1HRH3
SCHEMBL7110616 0.94 ESR1 (0.81) ESR1ESR2EBPSIGMAR1PSMB1
SCHEMBL3870779 0.94 ESR1 (0.80) ESR1ESR2EBPSIGMAR1LTA4H
SCHEMBL8477415 0.94 ESR1 (0.65) ESR1ESR2EBPSIGMAR1LTA4H
SCHEMBL7111259 0.93 ESR1 (0.77) ESR1ESR2EBPSIGMAR1PSMB1
SCHEMBL7110896 0.93 ESR1 (0.69) ESR1ESR2EBPSIGMAR1LTA4H
SCHEMBL3870510 0.93 ESR1 (0.82) ESR1ESR2EBPSIGMAR1LTA4H

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 2130/4885EBP 1842/4885

“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.