SCHEMBL34341

SCHEMBL34341

CC1C(COC(=O)c2ccccc2)OC(OCCBr)C(C)C1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.44
▸ LMNA P02545 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNA5 P30532 1/20 0.38
▸ CHRNA7 P36544 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ SYNJ2 O15056 3/20 0.36
▸ HTT P42858 1/20 0.36
▸ PPM1B O75688 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL26167583 0.85 LMNA (0.47) ALDH1A1LMNATDP1POLBMAPK1
SCHEMBL9604626 0.85 TDP1 (0.43) ALDH1A1LMNATDP1POLBMAPK1
SCHEMBL2621420 0.85 LMNA (0.47) ALDH1A1LMNATDP1POLBMAPK1
SCHEMBL9604456 0.85 TDP1 (0.43) ALDH1A1LMNATDP1POLBMAPK1
SCHEMBL15829785 0.85 TDP1 (0.43) ALDH1A1LMNATDP1POLBMAPK1
SCHEMBL9604620 0.84 ALDH1A1 (0.41) ALDH1A1LMNATDP1POLBMAPK1
SCHEMBL15829780 0.84 ALDH1A1 (0.41) ALDH1A1LMNATDP1POLBMAPK1
SCHEMBL16902759 0.84 ALDH1A1 (0.51) ALDH1A1LMNATDP1POLBMAPK1
SCHEMBL18349826 0.82 TDP1 (0.40) ALDH1A1LMNATDP1POLBMAPK1
SCHEMBL16902761 0.82 TDP1 (0.40) ALDH1A1LMNATDP1POLBMAPK1

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-8772463-B2 Fluorescent dye-labeled glucose bioprobe, synthesis method and usage thereof SNU R&DB FOUNDATION (KR) 2014-07-08 — — US disclosed
US-8632749-B2 Two photon tracer, method for the preparation thereof and the use thereof in screening anticancer agents SNU R&DB FOUNDATION (KR) 2014-01-21 — — US disclosed
US-20110059477-A1 FLUORESCENT DYE-LABELED GLUCOSE BIOPROBE, SYNTHESIS METHOD AND USAGE THEREOF SNU R&DB FOUNDATION (KR) 2011-03-10 — — US disclosed
US-20110059022-A1 TWO PHOTON TRACER, METHOD FOR THE PREPARATION THEREOF AND THE USE THEREOF IN SCREENING ANTICANCER AGENTS SNU R&DB FOUNDATION (KR) 2011-03-10 — — 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 (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-20110059477-A1 FLUORESCENT DYE-LABELED GLUCOSE BIOPROBE, SYNTHESIS METHOD AND USAGE THEREOF OGA, UGGT1, GALE ALDH1A1 85/4885LMNA 3579/4885TDP1 1511/4885
US-20110059022-A1 TWO PHOTON TRACER, METHOD FOR THE PREPARATION THEREOF AND THE USE THEREOF IN SCREENING ANTICANCER AGENTS SLC2A2, SLC2A1, SLC2A9 ALDH1A1 1252/4885LMNA 1629/4885TDP1 2778/4885

“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.

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