SCHEMBL19320233

SCHEMBL19320233

CCCC(=O)CC(=O)CC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.43
CES1 P23141 6/20 0.36
CES2 O00748 3/20 0.36
HDAC3 O15379 4/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC2 Q92769 4/20 0.36
HDAC8 Q9BY41 4/20 0.36
HDAC6 Q9UBN7 1/20 0.36
FAAH O00519 8/20 0.35
FFAR3 O14843 3/20 0.35
CTSD P07339 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KDM6B O15054 1/20 0.33
KDM5C P41229 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33

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
SCHEMBL9935031 0.88 PLA2G4A (0.52) PLA2G4ACES1CES2HDAC3HDAC1
SCHEMBL19320232 0.83 PLA2G4A (0.35) PLA2G4AMEN1KMT2A
SCHEMBL8650339 0.81 TDP1 (0.43) PLA2G4AFFAR3
SCHEMBL1701664 0.80 CES2 (0.53) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL14318586 0.79 HDAC3 (0.42) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL3126473 0.77 CES2 (0.50) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL5667473 0.77 CES2 (0.50) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL11434918 0.77 CES2 (0.50) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL29053185 0.77 CES2 (0.50) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL28665298 0.77 HAO1 (0.41) PLA2G4ACES1CES2FAAHMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170253623-A1 IRIDIUM COMPLEX PRODUCTION METHOD TANAKA KIKINZOKU KOGYO K.K. (JP) 2017-09-07 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-20170253623-A1 IRIDIUM COMPLEX PRODUCTION METHOD IPMK, TALDO1, BCKDK PLA2G4A 3799/4885CES1 2112/4885CES2 3625/4885

“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.