SCHEMBL4846504

SCHEMBL4846504

O=[C]CCc1cccc(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.38
CES2 O00748 3/20 0.36
CES1 P23141 3/20 0.36
BCHE P06276 1/20 0.36
RIPK1 Q13546 1/20 0.36
AKR1B1 P15121 1/20 0.36
CXCR2 P25025 4/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
LMNA P02545 1/20 0.32
MAOB P27338 1/20 0.32
AOC3 Q16853 1/20 0.32
OPRM1 P35372 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
IDO1 P14902 1/20 0.31
MPO P05164 1/20 0.31

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
SCHEMBL3246283 0.89 TAAR1 (0.35) TAAR1CES2CES1BCHERIPK1
SCHEMBL5538107 0.83 TAAR1 (0.56) TAAR1LMNAMAOBAOC3IDO1
SCHEMBL4846059 0.82 RIPK1 (0.35) CES2CES1RIPK1
SCHEMBL5225999 0.81 CES2 (0.40) TAAR1CES2CES1BCHERIPK1
SCHEMBL7052559 0.80 TAAR1 (0.48) TAAR1CES2CES1BCHERIPK1
SCHEMBL3556279 0.80 MEN1 (0.45) TAAR1CES2CES1BCHERIPK1
SCHEMBL5539423 0.80 TAAR1 (0.38) TAAR1CES2CES1BCHERIPK1
SCHEMBL4843665 0.77 TAAR1 (0.41) TAAR1CES2CES1BCHE
SCHEMBL5610129 0.77 TAAR1 (0.41) TAAR1CES2CES1BCHERIPK1
SCHEMBL17748504 0.74 TAAR1 (0.48) TAAR1CES2CES1BCHERIPK1

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 3 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-7169924-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 2007-01-30 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 TAAR1 1034/4885CES2 1956/4885CES1 267/4885

“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.