SCHEMBL5701993

SCHEMBL5701993

CCCC[Sn](CCCC)(c1c(F)cccc1F)c1c(F)cccc1F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
KCNH2 Q12809 2/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
ICMT O60725 2/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
ACHE P22303 1/20 0.30
PLK1 P53350 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL5702071 0.83 SMN1; SMN2 (0.39) SMN1; SMN2MEN1KMT2AHDAC3HDAC1
SCHEMBL5702143 0.83 SMN1; SMN2 (0.36) SMN1; SMN2MEN1KMT2AHDAC3HDAC1
SCHEMBL5701847 0.79 PLK1 (0.31) PLK1
SCHEMBL5702013 0.75
SCHEMBL5701989 0.73
SCHEMBL17047006 0.72 TSHR (0.35) SMN1; SMN2MEN1KMT2ADRD2DRD3
SCHEMBL7505763 0.69 SMN1; SMN2 (0.36) SMN1; SMN2MEN1KMT2AHDAC3HDAC1
SCHEMBL31558464 0.69 SMN1; SMN2 (0.36) SMN1; SMN2MEN1KMT2AHDAC3HDAC1
SCHEMBL5701840 0.68 HTR7 (0.41) HDAC3HDAC1HDAC2ACHE
SCHEMBL442385 0.67 SIGMAR1 (0.39) SMN1; SMN2MEN1KMT2A

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
EP-1211256-B1 Method for purifying fluoroaryl metal compound NIPPON CATALYTIC CHEM IND (JP) 2006-08-02 EP disclosed
US-6509488-B2 Magnesium halide is precipitated and removed from solution containing fluoroaryl metal compound, magnesium halide, and ether solvent, or magnesium halide is removed by treating solution with acid NIPPON SHOKUBAI CO., LTD. (JP) 2003-01-21 US disclosed
EP-1211256-A2 Method for purifying fluoroaryl metal compound Nippon Shokubai Co., Ltd. (JP) 2002-06-05 EP disclosed
US-20020065425-A1 Method for purifying fluoroaryl metal compound NIPPON SHOKUBAI CO., LTD. (JP) 2002-05-30 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-20020065425-A1 Method for purifying fluoroaryl metal compound MLLT3, AFF2, AFF4 SMN1; SMN2 4202/4885MEN1 333/4885KMT2A 191/4885

“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.