SCHEMBL3417813

SCHEMBL3417813

CCCc1c[nH]c(CCC(=O)N(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
EGFR P00533 1/20 0.33
SRC P12931 1/20 0.33
KMT2A Q03164 3/20 0.32
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
FFAR1 O14842 1/20 0.32
CDK4 P11802 1/20 0.32
GPR84 Q9NQS5 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
NCEH1 Q6PIU2 2/20 0.31
ITK Q08881 1/20 0.30
IAPP P10997 1/20 0.30

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
SCHEMBL3417098 0.91 ALDH1A1 (0.44) ALDH1A1HSD17B10NPC1RAB9AGPR84
SCHEMBL3415082 0.84 CYP4F2 (0.46) ALDH1A1HSD17B10MAPTFFAR1
SCHEMBL3420956 0.80 CYP4F2 (0.46) ALDH1A1KMT2AHSD17B10MAPT
SCHEMBL12097276 0.77 MPO (0.35) NPC1MAPTRAB9AGPR84HCAR2
SCHEMBL3415090 0.77 HSD17B10 (0.38) ALDH1A1EGFRSRCKMT2AHSD17B10
SCHEMBL13103035 0.73 ALDH1A1 (0.45) ALDH1A1KMT2AHSD17B10FFAR1GPR84
SCHEMBL3420561 0.72 HRH4 (0.40) GPR84
SCHEMBL3411511 0.72 CYP4F2 (0.44) ALDH1A1HSD17B10NPC1MAPTRAB9A
SCHEMBL13103053 0.71 S1PR1 (0.46) ALDH1A1FFAR1GPR84
SCHEMBL13103064 0.71 S1PR1 (0.46) ALDH1A1FFAR1GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140186875-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSIS MONTANA STATE UNIVERSITY (US) 2014-07-03 US disclosed
US-20100252433-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES NATIONAL SCIENCE FOUNDATION 2010-10-07 US disclosed
US-20100252433-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES NATIONAL SCIENCE FOUNDATION 2010-10-07 US disclosed
US-20100252433-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES NATIONAL SCIENCE FOUNDATION 2010-10-07 US disclosed
EP-2164997-A2 NOVEL OPTICAL LABELING MOLECULES IN PROTEOMICS AND OTHER BIOLOGICAL ANALYSES Montana State University (US) 2010-03-24 EP disclosed
WO-2009005871-A2 NOVEL OPTICAL LABELING MOLECULES IN PROTEOMICS AND OTHER BIOLOGICAL ANALYSES MONTANA STATE UNIVERSITY (US) 2009-01-08 WO disclosed
WO-2009005871-A2 NOVEL OPTICAL LABELING MOLECULES IN PROTEOMICS AND OTHER BIOLOGICAL ANALYSES MONTANA STATE UNIVERSITY (US) 2009-01-08 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-20100252433-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES PTMS, CHAMP1, RAB5IF ALDH1A1 2137/4885EGFR 4015/4885SRC 2950/4885

“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.