SCHEMBL6092086

SCHEMBL6092086

COC(=O)c1ccc(C(=O)Cc2cc(-c3cccs3)ccc2OCC(=O)N2CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.46
ALDH1A1 P00352 5/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
RAB9A P51151 5/20 0.44
NPC1 O15118 5/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 3/20 0.40
TSHR P16473 2/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL6092917 0.90 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1L3MBTL1POLBTDP1
SCHEMBL6092970 0.86 KDM4E (0.48) RAB9ANPC1KMT2AMEN1NPSR1
SCHEMBL6092548 0.82 KDM4E (0.50) ALDH1A1L3MBTL1RAB9ANPC1KMT2A
SCHEMBL6092689 0.78 MAPT (0.45) ALDH1A1L3MBTL1RAB9ANPC1KMT2A
SCHEMBL6094350 0.77 TNFRSF1A (0.45) SMN1; SMN2ALDH1A1L3MBTL1TDP1RAB9A
SCHEMBL6110229 0.76 LTA4H (0.42) ALDH1A1L3MBTL1RAB9ANPC1KMT2A
SCHEMBL6091297 0.76 KCNH2 (0.47) SMN1; SMN2
SCHEMBL6093149 0.75 KDM4E (0.48) SMN1; SMN2ALDH1A1L3MBTL1POLBRAB9A
SCHEMBL6092780 0.73 TNFRSF1A (0.50) ALDH1A1L3MBTL1KMT2AMEN1HDAC1
SCHEMBL6091940 0.73 TNFRSF1A (0.52) ALDH1A1L3MBTL1KMT2AMEN1HDAC1

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 SMN1; SMN2 2250/4885ALDH1A1 159/4885L3MBTL1 4751/4885

“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.