SCHEMBL1660833

SCHEMBL1660833

CC(C)CC=O.CC(C)CC=O.NNC(=O)CCCCCCCCC(=O)NN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.43
CTSD P07339 1/20 0.42
KDM4E B2RXH2 1/20 0.42
KDM5C P41229 1/20 0.42
PHF8 Q9UPP1 1/20 0.42
KDM2A Q9Y2K7 1/20 0.42
FAAH O00519 4/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
THRB P10828 1/20 0.38
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
DNM1 Q05193 1/20 0.35
HSP90AA1 P07900 1/20 0.34

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
SCHEMBL1660553 1.00 ALDH1A1 (0.50) ALDH1A1GAACTSDKDM4EKDM5C
SCHEMBL1662968 0.98 ALDH1A1 (0.47) ALDH1A1GAACTSDKDM4EKDM5C
SCHEMBL1661782 0.94 KDM4E (0.43) ALDH1A1GAACTSDKDM4EKDM5C
SCHEMBL1660806 0.93 FAAH (0.50) ALDH1A1CTSDFAAHMEN1MAPK1
SCHEMBL1661778 0.93 FAAH (0.50) ALDH1A1CTSDFAAHMEN1MAPK1
Tetradecanehydrazide SCHEMBL1661791 0.93 FAAH (0.50) ALDH1A1CTSDFAAHMEN1MAPK1
SCHEMBL1660802 0.93 FAAH (0.50) ALDH1A1CTSDFAAHMEN1MAPK1
SCHEMBL1661779 0.93 FAAH (0.50) ALDH1A1CTSDFAAHMEN1MAPK1
SCHEMBL1660009 0.93 FAAH (0.50) ALDH1A1CTSDFAAHMEN1MAPK1
SCHEMBL1661789 0.93 FAAH (0.50) ALDH1A1CTSDFAAHMEN1MAPK1

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 ALDH1A1 3423/4885GAA 225/4885CTSD 2183/4885

“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.