SCHEMBL5864263

SCHEMBL5864263

O=C(c1ccccc1)N(Cc1ccc(O)cc1Cl)c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.52
ESR1 P03372 13/20 0.51
ESR2 Q92731 11/20 0.51
PDK1 Q15118 1/20 0.49
PDK2 Q15119 1/20 0.49
PDK3 Q15120 1/20 0.49
PDK4 Q16654 1/20 0.49
PSMB1 P20618 2/20 0.47
PSMB5 P28074 2/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
PSMB2 P49721 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
SCHEMBL5863542 0.90 PDK1 (0.48) LTA4HESR1ESR2PDK1PDK2
SCHEMBL5863941 0.86 HTT (0.49) LTA4HESR1ESR2PDK1PDK2
SCHEMBL5863430 0.84 HTT (0.55) LTA4HESR1ESR2PDK1PDK2
SCHEMBL5863880 0.83 ESR1 (0.47) ESR1ESR2PDK1PDK2PDK3
SCHEMBL2112716 0.81 LTA4H (0.64) LTA4HESR1ESR2PSMB1PSMB5
SCHEMBL5863730 0.81 ESR1 (0.50) LTA4HESR1ESR2HTTKDM4E
SCHEMBL2115656 0.80 LTA4H (0.62) LTA4HESR1ESR2PSMB1PSMB5
SCHEMBL11873434 0.78 LTA4H (0.68) LTA4HESR1ESR2PSMB1PSMB5
SCHEMBL11879052 0.77 LTA4H (0.67) LTA4HESR1PSMB1PSMB5HTT
SCHEMBL2115067 0.77 LTA4H (0.67) LTA4HESR1PSMB1PSMB5HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7053212-B2 Acyclic amide and sulfonamide ligands for the estrogen receptor PFIZER INC. (US) 2006-05-30 US disclosed
US-20040110767-A1 Acyclic amide and sulfonamide ligands for the estrogen receptor PFIZER INC 2004-06-10 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-20040110767-A1 Acyclic amide and sulfonamide ligands for the estrogen receptor GHSR, GPER1, SSTR1 LTA4H 1687/4885ESR1 4/4885ESR2 12/4885

“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.