SCHEMBL5863871

SCHEMBL5863871

CCCCC(c1ccc(OC2CCCCO2)cc1)N(C(=O)CCc1ccccc1)c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.39
EPHX2 P34913 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
ESR1 P03372 4/20 0.39
KDM4E B2RXH2 4/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 2/20 0.39
S1PR1 P21453 1/20 0.38
PSMB1 P20618 1/20 0.38
PSMB5 P28074 1/20 0.38
PSMB2 P49721 1/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL5863697 0.86 HTT (0.47) LTA4HEPHX2ESR1KDM4EHTT
SCHEMBL6152352 0.83 ESR1 (0.45) LTA4HEPHX2HRH3ESR1KDM4E
Trifluoroacetic Acid SCHEMBL5864089 0.83 EPHX2 (0.43) LTA4HEPHX2ESR1KDM4EHTT
SCHEMBL5863857 0.81 LTA4H (0.48) LTA4HEPHX2KDM4EMEN1KMT2A
SCHEMBL5864226 0.73 LTA4H (0.47) LTA4HHRH3KDM4EMEN1KMT2A
SCHEMBL5863837 0.72 LTA4H (0.38) LTA4HHRH3ESR1MEN1KMT2A
SCHEMBL5864067 0.70 HTR1A (0.41) LTA4HHRH3MEN1KMT2APSMB1
SCHEMBL5863662 0.69 LTA4H (0.45) LTA4HHRH3MEN1
SCHEMBL5863669 0.68 PSMB1 (0.49) LTA4HHRH3KDM4EMEN1KMT2A
SCHEMBL5864059 0.67 PSMB1 (0.39) HRH3ESR1KDM4EMEN1KMT2A

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 4 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
EP-1542967-A1 AMIDE AND SULFONAMIDE LIGANDS FOR THE ESTROGEN RECEPTOR Pfizer Products Inc. (US) 2005-06-22 EP disclosed
US-20040110767-A1 Acyclic amide and sulfonamide ligands for the estrogen receptor PFIZER INC 2004-06-10 US disclosed
WO-2004026823-A1 AMIDE AND SULFONAMIDE LIGANDS FOR THE ESTROGEN RECEPTOR PFIZER PRODUCTS INC. (US) 2004-04-01 WO 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 1687/4885EPHX2 1166/4885HRH3 1036/4885

“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.