SCHEMBL3418485

SCHEMBL3418485

CC1N(CCCCCCC(=O)O)c2ccc(F)cc2C1(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.44
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.38
KDM4A O75164 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AKR1B1 P15121 5/20 0.36
GAA P10253 2/20 0.34
TSHR P16473 1/20 0.34
PTGS1 P23219 4/20 0.34
PTGS2 P35354 4/20 0.34
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL28249171 0.87 KMT2A (0.38) MEN1KDM4APOLBMAPTTHRB
SCHEMBL14854426 0.86 MDM2 (0.39) MEN1KDM4APOLBMAPTTHRB
Bromide SCHEMBL5458775 0.85 PTGS1 (0.39) MEN1KDM4APOLBMAPTTHRB
Bromide SCHEMBL14843908 0.85 MDM2 (0.39) MEN1KDM4APOLBMAPTTHRB
SCHEMBL23724052 0.83 APEX1 (0.36) MEN1KDM4APOLBMAPTTHRB
SCHEMBL28395116 0.83 SMN1; SMN2 (0.36) MEN1KDM4APOLBMAPTTHRB
SCHEMBL1065475 0.83 APEX1 (0.36) MEN1KDM4APOLBMAPTTHRB
SCHEMBL25230632 0.83 GAA (0.41) MAPTGAAPTGS1PTGS2
Bromide SCHEMBL861823 0.82 APEX1 (0.35) MEN1KDM4APOLBMAPTTHRB
SCHEMBL1067864 0.82 APEX1 (0.35) MEN1KDM4APOLBMAPTTHRB

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-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

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 PTGDR2 3105/4885MAPK1 3140/4885MEN1 4213/4885

“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.