SCHEMBL6092497

SCHEMBL6092497

C=C(C(=O)c1c(C)cccc1C)c1ccccc1-c1cccnc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ELANE P08246 1/20 0.41
ALDH1A1 P00352 2/20 0.39
DHODH Q02127 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
BTK Q06187 1/20 0.38
CTSA P10619 1/20 0.37
PDE10A Q9Y233 1/20 0.37
GFER P55789 1/20 0.37
EIF4E P06730 1/20 0.36
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL7899073 0.76 DHODH (0.56) KMT2AL3MBTL1ALDH1A1DHODHKDM4E
SCHEMBL10305038 0.73 ELANE (0.49) KMT2AL3MBTL1ELANEDHODHBTK
SCHEMBL975732 0.73 HDAC6 (0.53) KMT2AL3MBTL1ALDH1A1DHODHKDM4E
SCHEMBL6092495 0.72 L3MBTL1 (0.42) KMT2AL3MBTL1ELANEALDH1A1DHODH
SCHEMBL6111610 0.72 KMT2A (0.42) KMT2AL3MBTL1ELANEALDH1A1DHODH
SCHEMBL6092124 0.72 RAB9A (0.42) ALDH1A1KDM4ETDP1MAPTGAA
SCHEMBL27808178 0.70 DHODH (0.43) L3MBTL1ELANEDHODHBTKCTSA
SCHEMBL10668402 0.69 BTK (0.49) ALDH1A1DHODHKDM4ETDP1BTK
SCHEMBL6090977 0.68 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTMAPK1
SCHEMBL8888379 0.67 APLNR (0.44) L3MBTL1ALDH1A1KDM4ETDP1BTK

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 KMT2A 3991/4885L3MBTL1 4751/4885ELANE 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.