SCHEMBL6093149

SCHEMBL6093149

O=Cc1cc(-c2cccs2)ccc1OCC(=O)N1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ERN1 O75460 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.46
NPC1 O15118 5/20 0.46
HPGD P15428 4/20 0.46
RAB9A P51151 4/20 0.46
TSHR P16473 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 2/20 0.46
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HTT P42858 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 2/20 0.45
GRIN2B Q13224 1/20 0.45

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
SCHEMBL6094179 0.81 HRH3 (0.56) KDM4EERN1SMN1; SMN2TSHR
SCHEMBL6092917 0.77 SMN1; SMN2 (0.43) SMN1; SMN2NPC1HPGDRAB9ATSHR
SCHEMBL6166729 0.76 POLB (0.66) KDM4ESMN1; SMN2NPC1HPGDRAB9A
SCHEMBL6093265 0.76 SMN1; SMN2 (0.42) SMN1; SMN2NPC1HPGDRAB9ATSHR
SCHEMBL6092086 0.75 SMN1; SMN2 (0.46) SMN1; SMN2NPC1HPGDRAB9ATSHR
SCHEMBL6040682 0.72 KCNH2 (0.50) KDM4EERN1RAB9ATSHRKMT2A
SCHEMBL6040633 0.72 ALDH1A1 (0.56) KDM4ESMN1; SMN2HPGDMEN1KMT2A
SCHEMBL5960661 0.71 ERN1 (0.68) ERN1
SCHEMBL6040591 0.70 ERN1 (0.57) ERN1SMN1; SMN2MEN1KMT2AHDAC3
SCHEMBL6110644 0.69 LTA4H (0.53) ERN1HDAC3HDAC1HDAC2

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-20060063828-A1 1,2-Bis-(substituted-phenyl)-2-propen-1-ones and pharmaceutical compositions thereof ATHEROGENICS, INC. 2006-03-23 US disclosed
WO-2006004903-A2 1,2-BIS-(SUBSTITUTED-PHENYL)-2-PROPEN-1-ONES AND PHARMACEUTICAL COMPOSITIONS THEREOF ATHEROGENICS, INC. (US) 2006-01-12 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-20060063828-A1 1,2-Bis-(substituted-phenyl)-2-propen-1-ones and pharmaceutical compositions thereof ABCB11, CEL, CYP46A1 KDM4E 1931/4885ERN1 2367/4885SMN1; SMN2 2250/4885

“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.