SCHEMBL7106690

SCHEMBL7106690

Oc1ccccc1-c1ccc2ccccc2c1Cc1ccc(OCCN2CCCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 5/20 0.61
▸ ESR2 Q92731 5/20 0.61
▸ LTA4H P09960 7/20 0.56
▸ PSMB1 P20618 2/20 0.54
▸ PSMB5 P28074 2/20 0.54
▸ PSMB2 P49721 1/20 0.54
▸ GCGR P47871 1/20 0.52
▸ HRH3 Q9Y5N1 3/20 0.49
▸ PTPN1 P18031 1/20 0.48

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
SCHEMBL7111159 0.90 ESR1 (0.76) ESR1ESR2LTA4H
SCHEMBL9966911 0.88 LTA4H (0.62) ESR1ESR2LTA4HPSMB1PSMB5
SCHEMBL9940230 0.88 LTA4H (0.62) ESR1ESR2LTA4HPSMB1PSMB5
SCHEMBL6594554 0.87 ESR1 (0.71) ESR1ESR2LTA4HPSMB1PSMB5
SCHEMBL9940347 0.87 LTA4H (0.61) ESR1ESR2LTA4HPSMB1PSMB5
SCHEMBL7106153 0.86 HRH3 (0.55) ESR1ESR2LTA4HPSMB1PSMB5
SCHEMBL7105849 0.84 ESR1 (0.70) ESR1ESR2LTA4HPSMB1PSMB5
SCHEMBL7108653 0.84 ESR1 (0.65) ESR1ESR2LTA4HGCGR
SCHEMBL7107783 0.84 ESR1 (0.82) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL13897595 0.83 ESR1 (0.66) ESR1ESR2LTA4HPSMB1PSMB5

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 2130/4885LTA4H 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.

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