SCHEMBL69183

SCHEMBL69183

CC(C)(C)N(C(=O)O)c1cccc(Br)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
HTR7 P34969 2/20 0.35
GRM5 P41594 1/20 0.35
POLB P06746 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
HTR1A P08908 2/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
ACMSD Q8TDX5 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL550049 0.81 CYP3A4 (0.39) ALDH1A1HPGDGRM5POLBMEN1
SCHEMBL1861969 0.79 POLB (0.35) POLBMEN1KMT2AHTTL3MBTL1
SCHEMBL1860331 0.79 FGFR4 (0.41) POLBMEN1KMT2AHTTL3MBTL1
SCHEMBL16535224 0.79 PIM1 (0.37) ALDH1A1POLBKMT2AKDM4EALOX15
SCHEMBL1400663 0.79 CLK1 (0.40) CLK1ALDH1A1HPGDHTR7GRM5
SCHEMBL12987971 0.78 ALDH1A1 (0.39) CLK1ALDH1A1HPGDHTR7GRM5
SCHEMBL1693909 0.78 POLB (0.34) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL16535487 0.78 HCRTR1 (0.37) GRM5POLB
SCHEMBL67698 0.77 POLB (0.41) CLK1ALDH1A1HPGDHTR7GRM5
SCHEMBL21874174 0.76 KDM4E (0.31) KDM4E

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
US-8022079-B2 Methods of modulating PPAR gamma-type receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-09-20 US disclosed
EP-1638964-B1 NOVEL COMPOUNDS THAT MODULATE PPAR-GAMMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2011-07-27 EP disclosed
US-20110166143-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2011-07-07 US disclosed
US-20110105566-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-05-05 US disclosed
EP-1814871-B1 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2011-03-02 EP 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 (2 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-20110105566-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES HAAO, CYP51A1, HPD CLK1 3062/4885ALDH1A1 3321/4885HPGD 2035/4885
US-20110166143-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, BCHE CLK1 2739/4885ALDH1A1 1595/4885HPGD 168/4885

“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.