SCHEMBL5698489

SCHEMBL5698489

CC(C)(N)C(=O)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.50
CES2 O00748 1/20 0.50
CA2 P00918 3/20 0.46
CA1 P00915 2/20 0.46
PLOD2 O00469 1/20 0.46
ABCC9 O60706 1/20 0.44
ABCC8 Q09428 1/20 0.44
KCNJ11 Q14654 1/20 0.44
KCNJ8 Q15842 1/20 0.44
BCL2L1 Q07817 1/20 0.43
BAD Q92934 1/20 0.43
KCNN4 O15554 1/20 0.42
PTPN1 P18031 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HTR7 P34969 1/20 0.41
MAPT P10636 1/20 0.41
S1PR1 P21453 1/20 0.41
LTA4H P09960 1/20 0.41
CYP1A2 P05177 1/20 0.40

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
SCHEMBL7804393 0.84 CES1 (0.52) CES1CES2CA2CA1PLOD2
SCHEMBL9859948 0.83 CES1 (0.50) CES1CES2CA2CA1PLOD2
SCHEMBL2625487 0.82 CES2 (0.54) CES1CES2CA2CA1PLOD2
SCHEMBL7991415 0.80 CA2 (0.59) CES1CES2CA2NPC1RAB9A
SCHEMBL9115535 0.80 LMNA (0.44) CA2NPC1RAB9AMAPTCYP1A2
SCHEMBL2696027 0.80 CES2 (0.52) CES1CES2CA2CA1PLOD2
SCHEMBL5466629 0.80 CES2 (0.52) CES1CES2CA2CA1PLOD2
SCHEMBL16823 0.79 CES1 (0.62) CES1CES2CA2CA1PLOD2
SCHEMBL5476352 0.79 ABCC9 (0.57) CES1CES2CA2CA1PLOD2
SCHEMBL29043915 0.78 CES2 (0.50) CES1CES2CA2CA1PLOD2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1297022-B1 NOVEL PHOTOINITIATORS KIMBERLY CLARK CO (US) 2006-07-19 EP disclosed
EP-1297022-A1 NOVEL PHOTOINITIATORS AND APPLICATIONS THEREFOR Kimberly-Clark Worldwide, Inc. (US) 2003-04-02 EP disclosed
US-6486227-B2 FOR USE IN GENERATING A REACTIVE SPECIES POLYMERIZING POLYMERIZABLE MATERIALS, FOR CURING UNSATURATED OLIGOMER/MONOMER MIXTURE, AND LAMINATING USING PHOTOINITIATORS, FOR INKS, ADHESIVES KIMBERLY-CLARK WORLDWIDE, INC. 2002-11-26 US disclosed
US-20020099111-A1 Novel photoinitiators and applications therefor MIND FUSION, LLC 2002-07-25 US disclosed
WO-2002000735-A1 NOVEL PHOTOINITIATORS AND APPLICATIONS THEREFOR KIMBERLY-CLARK WORLDWIDE, INC. (US) 2002-01-03 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-20020099111-A1 Novel photoinitiators and applications therefor ARL1, VCL, RAD54L CES1 1547/4885CES2 2577/4885CA2 4316/4885

“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.