SCHEMBL6091074

SCHEMBL6091074

C=C(C(=O)c1c(C)cccc1Cl)c1ccc(C(=O)O)cc1-c1cccs1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.38
RORC P51449 9/20 0.38
CYP2C9 P11712 2/20 0.37
SRPK1 Q96SB4 1/20 0.36
RPS6KB2 Q9UBS0 1/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CYP3A4 P08684 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 2/20 0.34
THRB P10828 2/20 0.34
FTO Q9C0B1 1/20 0.34
TNFRSF1A P19438 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ACLY P53396 1/20 0.34

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
SCHEMBL6092305 0.92 AR (0.42) ARSRPK1RPS6KB2KDM4EL3MBTL1
SCHEMBL6093087 0.81 TNFRSF1A (0.43) ARKDM4EL3MBTL1MAPTTNFRSF1A
SCHEMBL6090580 0.78 POLB (0.38) ARRORCCYP2C9SRPK1RPS6KB2
SCHEMBL6110232 0.76 TNFRSF1A (0.44) SRPK1RPS6KB2TNFRSF1A
SCHEMBL6092124 0.76 RAB9A (0.42) KDM4EMAPTTHRBTDP1
SCHEMBL10338606 0.74 SRPK1 (0.51) ARSRPK1RPS6KB2KDM4EL3MBTL1
SCHEMBL27142785 0.73 SRPK1 (0.50) ARSRPK1RPS6KB2KDM4EL3MBTL1
SCHEMBL6040881 0.72 ALDH1A1 (0.43) KDM4EL3MBTL1MAPT
SCHEMBL6092865 0.71 AR (0.40) ARSRPK1RPS6KB2KDM4EL3MBTL1
SCHEMBL6110903 0.70 TNFRSF1A (0.47) SRPK1RPS6KB2TNFRSF1A

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-20060063828-A1 1,2-Bis-(substituted-phenyl)-2-propen-1-ones and pharmaceutical compositions thereof ATHEROGENICS, INC. 2006-03-23 US claimed
WO-2006004903-A2 1,2-BIS-(SUBSTITUTED-PHENYL)-2-PROPEN-1-ONES AND PHARMACEUTICAL COMPOSITIONS THEREOF ATHEROGENICS, INC. (US) 2006-01-12 WO claimed
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 AR 2130/4885RORC 398/4885CYP2C9 127/4885

“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.