SCHEMBL1659983

SCHEMBL1659983

CC(C)CC=O.CC(C)CC=O.NNC(=O)c1cccc(C(=O)NN)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
KMT2A Q03164 1/20 0.54
HSD17B10 Q99714 1/20 0.54
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
AOC2 O75106 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
OGG1 O15527 1/20 0.41
FURIN P09958 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
ATM Q13315 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL1662977 0.86 OGG1 (0.55) KMT2AALDH1A1KDM4EAOC2LMNA
SCHEMBL77384 0.80 ALDH1A1 (0.76) GAAKMT2AHSD17B10ALDH1A1KDM4E
SCHEMBL24331925 0.78 KDM4E (0.58) GAAKMT2AHSD17B10ALDH1A1KDM4E
SCHEMBL1904111 0.77 ALDH1A1 (0.70) GAAKMT2AHSD17B10ALDH1A1KDM4E
SCHEMBL18025237 0.75 HDAC8 (0.69) GAAKMT2AHSD17B10ALDH1A1KDM4E
SCHEMBL21841727 0.75 ALDH1A1 (0.58) GAAKMT2AHSD17B10ALDH1A1KDM4E
SCHEMBL12731305 0.74 ASF1A (0.66) GAAKMT2AHSD17B10ALDH1A1KDM4E
SCHEMBL12799520 0.74 ASF1A (0.66) GAAKMT2AHSD17B10ALDH1A1KDM4E
Propanol SCHEMBL28827183 0.74 ALDH1A1 (0.61) GAAKMT2AHSD17B10ALDH1A1KDM4E
SCHEMBL18448812 0.73 ALDH1A1 (0.66) GAAKMT2AHSD17B10ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488021-A1 COMPOSITIONS AND METHODS TO CONTROL OOMYCETE FUNGAL PATHOGENS Dow AgroSciences LLC (US) 2012-08-22 EP claimed
WO-2011047025-A1 COMPOSITIONS AND METHODS TO CONTROL OOMYCETE FUNGAL PATHOGENS DOW AGROSCIENCES LLC (US) 2011-04-21 WO claimed
US-20110086761-A1 COMPOSITIONS AND METHODS TO CONTROL OOMYCETE FUNGAL PATHOGENS DOW AGROSCIENCES LLC (US) 2011-04-14 US claimed
EP-2488021-A1 COMPOSITIONS AND METHODS TO CONTROL OOMYCETE FUNGAL PATHOGENS Dow AgroSciences LLC (US) 2012-08-22 EP disclosed
WO-2011047025-A1 COMPOSITIONS AND METHODS TO CONTROL OOMYCETE FUNGAL PATHOGENS DOW AGROSCIENCES LLC (US) 2011-04-21 WO disclosed
US-20110086761-A1 COMPOSITIONS AND METHODS TO CONTROL OOMYCETE FUNGAL PATHOGENS DOW AGROSCIENCES LLC (US) 2011-04-14 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-20110086761-A1 COMPOSITIONS AND METHODS TO CONTROL OOMYCETE FUNGAL PATHOGENS ERG28, DPM1, BROX GAA 225/4885KMT2A 1411/4885HSD17B10 1287/4885

“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.