SCHEMBL4847089

SCHEMBL4847089

CC(C)([C]=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP2D6 P10635 1/20 0.34
SRC P12931 1/20 0.34
AOC3 Q16853 1/20 0.34
CACNA1F O60840 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
ADRA2B P18089 1/20 0.34
CHRM3 P20309 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
OPRK1 P41145 1/20 0.34
CACNA1D Q01668 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
CACNA1S Q13698 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
SCHEMBL563710 0.81 KDM4E (0.40) RIPK1MEN1KMT2AAOC3CACNA1F
SCHEMBL27657612 0.77 RIPK1 (0.36) RIPK1MEN1KMT2AAOC3CACNA1F
SCHEMBL27168800 0.77 TSHR (0.41) RIPK1MEN1KMT2ACYP2D6AOC3
SCHEMBL30265787 0.76 ATM (0.38) RIPK1MEN1KMT2AATML3MBTL1
SCHEMBL8470622 0.75 KMT2A (0.37) RIPK1KMT2AATML3MBTL1GAA
SCHEMBL3262986 0.75 CYP2D6 (0.34) RIPK1MEN1KMT2AATML3MBTL1
SCHEMBL2480309 0.73 RIPK1 (0.41) RIPK1ATML3MBTL1CYP2D6SRC
SCHEMBL483872 0.72 MIF (0.34) RIPK1ATML3MBTL1AOC3CACNA1F
SCHEMBL5029899 0.72 RIPK1 (0.43) RIPK1ATML3MBTL1AOC3CACNA1F
SCHEMBL23880379 0.69 RIPK1 (0.40) RIPK1AOC3CACNA1FCHRM2CHRM1

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-7462620-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM, PLC (GB) 2008-12-09 US disclosed
US-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis ELLIOTT RICHARD L 2006-10-26 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-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis PLA2G7, PLA2G1B, PLA2G4B RIPK1 3225/4885MEN1 3656/4885KMT2A 2798/4885

“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.