SCHEMBL7105849

SCHEMBL7105849

Oc1cccc(-c2ccc3ccccc3c2Cc2ccc(OCCN3CCCCC3)cc2)c1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 12/20 0.70
▸ ESR2 Q92731 8/20 0.70
▸ LTA4H P09960 3/20 0.52
▸ GCGR P47871 1/20 0.51
▸ PSMB1 P20618 1/20 0.50
▸ PSMB5 P28074 1/20 0.50
▸ PSMB2 P49721 1/20 0.50
▸ KDR P35968 1/20 0.50
▸ F2 P00734 1/20 0.49

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
SCHEMBL7110078 0.93 ESR1 (0.82) ESR1ESR2F2
Hydrochloric Acid SCHEMBL7110093 0.92 ESR1 (0.84) ESR1ESR2F2
SCHEMBL6594554 0.88 ESR1 (0.71) ESR1ESR2LTA4HGCGRPSMB1
SCHEMBL7112792 0.88 ESR1 (0.75) ESR1ESR2F2
SCHEMBL3862974 0.88 ESR1 (0.87) ESR1ESR2LTA4HF2
SCHEMBL13897795 0.87 ESR1 (0.85) ESR1ESR2LTA4HF2
SCHEMBL7105804 0.86 ESR1 (0.78) ESR1ESR2F2
SCHEMBL7109600 0.86 ESR1 (0.57) ESR1ESR2LTA4HGCGRPSMB1
Hydrochloric Acid SCHEMBL1358943 0.85 ESR1 (0.80) ESR1ESR2F2
SCHEMBL7108653 0.85 ESR1 (0.65) ESR1ESR2LTA4HGCGRF2

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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