SCHEMBL6092495

SCHEMBL6092495

COc1ncccc1-c1ccccc1C(C=O)=Cc1c(C)cccc1C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
KMT2A Q03164 1/20 0.42
ELANE P08246 1/20 0.41
BTK Q06187 1/20 0.37
ALDH1A1 P00352 2/20 0.36
DHODH Q02127 1/20 0.36
PTGES2 Q9H7Z7 1/20 0.36
CTSA P10619 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
PDE10A Q9Y233 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
EIF4E P06730 1/20 0.34
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL10305038 0.73 ELANE (0.49) L3MBTL1KMT2AELANEBTKDHODH
SCHEMBL6092122 0.73 HCRTR1 (0.39) ALDH1A1NPC1RAB9ATDP1KDM4E
SCHEMBL6092497 0.72 KMT2A (0.49) L3MBTL1KMT2AELANEBTKALDH1A1
SCHEMBL7899073 0.72 DHODH (0.56) L3MBTL1KMT2ABTKALDH1A1DHODH
SCHEMBL6111610 0.71 KMT2A (0.42) L3MBTL1KMT2AELANEBTKALDH1A1
SCHEMBL975732 0.70 HDAC6 (0.53) L3MBTL1KMT2ABTKALDH1A1DHODH
SCHEMBL6090975 0.69 ALDH1A1 (0.39) KMT2AALDH1A1RAB9A
SCHEMBL4962424 0.66 ERN1 (0.51) L3MBTL1KMT2AELANEBTKNPC1
SCHEMBL10668402 0.65 BTK (0.49) BTKALDH1A1DHODHNPC1RAB9A
SCHEMBL12834089 0.65 BTK (0.43) L3MBTL1KMT2AELANEBTKDHODH

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 claimed
US-20060063828-A1 1,2-Bis-(substituted-phenyl)-2-propen-1-ones and pharmaceutical compositions thereof ATHEROGENICS, INC. 2006-03-23 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-20060063828-A1 1,2-Bis-(substituted-phenyl)-2-propen-1-ones and pharmaceutical compositions thereof ABCB11, CEL, CYP46A1 L3MBTL1 4751/4885KMT2A 3991/4885ELANE 121/4885

“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.