SCHEMBL7113155

SCHEMBL7113155

Oc1cccc(C2=C(C(O)c3ccc(OCCN4CCCCC4)cc3)c3ccccc3CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.53
ESR1 P03372 10/20 0.53
ESR2 Q92731 6/20 0.53
KDR P35968 3/20 0.49
EBP Q15125 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
MCHR1 Q99705 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
SCHEMBL7107147 0.93 ESR1 (0.59) LTA4HESR1ESR2KDREBP
SCHEMBL7110375 0.89 EBP (0.56) LTA4HESR1ESR2EBPSIGMAR1
SCHEMBL7529231 0.85 EBP (0.57) LTA4HESR1ESR2EBPSIGMAR1
SCHEMBL7113004 0.85 ESR1 (0.49) ESR1ESR2KDREBPSIGMAR1
SCHEMBL7113006 0.84 ESR1 (0.49) ESR1ESR2KDREBPSIGMAR1
SCHEMBL3861283 0.84 EBP (0.58) LTA4HESR1ESR2EBPSIGMAR1
SCHEMBL7110262 0.83 LTA4H (0.57) LTA4HESR1ESR2EBPSIGMAR1
SCHEMBL7109994 0.83 EBP (0.61) LTA4HESR1ESR2EBPSIGMAR1
SCHEMBL7521111 0.82 EBP (0.70) LTA4HESR1ESR2EBPSIGMAR1
SCHEMBL7105837 0.82 EBP (0.62) LTA4HESR1ESR2EBPSIGMAR1

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 418/4885ESR1 1044/4885ESR2 2130/4885

“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.