SCHEMBL3419337

SCHEMBL3419337

CNCCCCC(C(=O)O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.41
KISS1R Q969F8 1/20 0.41
HSPD1 P10809 1/20 0.37
BLM P54132 1/20 0.37
HSPE1 P61604 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 2/20 0.35
KDM4A O75164 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
HTR2A P28223 1/20 0.32
HRH1 P35367 1/20 0.32
EPHX1 P07099 1/20 0.32
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MMP2 P08253 5/20 0.32
MMP3 P08254 5/20 0.32

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
SCHEMBL8072808 0.78 HSPD1 (0.56) HSPD1BLMHSPE1MEN1KMT2A
SCHEMBL29061427 0.78 HSPD1 (0.40) HSPD1BLMHSPE1MEN1KMT2A
SCHEMBL6665116 0.78 BLM (0.45) HSPD1BLMHSPE1MEN1KMT2A
SCHEMBL14867622 0.76 MEN1 (0.67) MEN1KMT2AGAAMMP3MMP1
SCHEMBL4864116 0.76 HSPD1 (0.59) HSPD1BLMHSPE1MEN1KMT2A
SCHEMBL10976908 0.76 HSPD1 (0.39) HSPD1BLMHSPE1MEN1KMT2A
SCHEMBL3988978 0.76 HSPD1 (0.42) CPB2HSPD1BLMHSPE1MEN1
SCHEMBL9293381 0.76 HSPD1 (0.59) HSPD1BLMHSPE1MEN1KMT2A
SCHEMBL21247622 0.76 HSPD1 (0.59) HSPD1BLMHSPE1MEN1KMT2A
SCHEMBL7624302 0.76 GSR (0.52) CPB2HSPD1BLMHSPE1MEN1

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 4 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
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

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 CPB2 126/4885KISS1R 4424/4885HSPD1 1387/4885

“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.