SCHEMBL3496110

SCHEMBL3496110

COc1ccc(NC(=O)C2C3CCC(O3)C2C(=O)O)cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.71
KMT2A Q03164 4/20 0.71
ALDH1A1 P00352 4/20 0.71
MEN1 O00255 3/20 0.71
BLM P54132 1/20 0.71
PPP1CA P62136 1/20 0.70
LMNA P02545 6/20 0.69
TDP1 Q9NUW8 1/20 0.69
KDM4E B2RXH2 4/20 0.68
PPM1B O75688 2/20 0.65
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
HTT P42858 2/20 0.55
FPR1 P21462 1/20 0.55
HSD17B10 Q99714 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HPGD P15428 1/20 0.53

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
SCHEMBL3493983 0.83 ALDH1A1 (1.00) GAAKMT2AALDH1A1MEN1BLM
SCHEMBL13311757 0.83 ALDH1A1 (1.00) GAAKMT2AALDH1A1MEN1BLM
SCHEMBL3496402 0.83 ALDH1A1 (0.78) GAAKMT2AALDH1A1MEN1BLM
SCHEMBL3495475 0.82 ALDH1A1 (0.76) GAAKMT2AALDH1A1MEN1BLM
SCHEMBL3500228 0.82 ALDH1A1 (0.76) GAAKMT2AALDH1A1MEN1BLM
SCHEMBL3493897 0.82 KMT2A (0.76) GAAKMT2AALDH1A1MEN1BLM
SCHEMBL3951978 0.81 ALDH1A1 (0.71) GAAKMT2AALDH1A1MEN1BLM
SCHEMBL3496344 0.81 ALDH1A1 (0.71) GAAKMT2AALDH1A1MEN1BLM
SCHEMBL3496527 0.81 L3MBTL1 (0.67) GAAKMT2AALDH1A1PPP1CALMNA
SCHEMBL13311427 0.80 ALDH1A1 (0.72) GAAKMT2AALDH1A1MEN1BLM

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
EP-2086534-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING INVERTEBRATE PESTS Genetic Technologies Limited (AU) 2009-08-12 EP claimed
WO-2008058342-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING INVERTEBRATE PESTS GENETIC TECHNOLOGIES LIMITED (AU) 2008-05-22 WO claimed
US-20100137294-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING INVERTEBRATE PESTS GENETIC TECHNOLOGIES LIMITED (AU) 2010-06-03 US disclosed
EP-2086534-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING INVERTEBRATE PESTS Genetic Technologies Limited (AU) 2009-08-12 EP disclosed
WO-2008058342-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING INVERTEBRATE PESTS GENETIC TECHNOLOGIES LIMITED (AU) 2008-05-22 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-20100137294-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING INVERTEBRATE PESTS PPP1R10, TASP1, PPP5C GAA 3610/4885KMT2A 1199/4885ALDH1A1 3457/4885

“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.