SCHEMBL5146537

SCHEMBL5146537

FC(F)(F)c1ccc([C]2CCCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PTGS2 P35354 2/20 0.43
PTGS1 P23219 1/20 0.43
MAOB P27338 1/20 0.42
TNKS O95271 1/20 0.41
PARP1 P09874 1/20 0.41
WNT3A P56704 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
NISCH Q9Y2I1 1/20 0.40
GALR1 P47211 1/20 0.40
CHKA P35790 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CYP1A2 P05177 1/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 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
SCHEMBL5147795 0.98 KIF11 (0.50) KIF11KDM4EALDH1A1PTGS2PTGS1
SCHEMBL5146697 0.93 KIF11 (0.50) KIF11ALDH1A1PTGS2PTGS1MAOB
SCHEMBL1847395 0.88 KIF11 (0.54) KIF11ALDH1A1PTGS2PTGS1MAOB
SCHEMBL4329010 0.77 SLC6A2 (0.47) KIF11KDM4ENISCHTSHR
SCHEMBL5146558 0.74 KIF11 (0.46) KIF11KDM4EALDH1A1NISCHMEN1
SCHEMBL29914837 0.74 KIF11 (0.78) KIF11ALDH1A1MAOBTSHR
SCHEMBL13410633 0.74 KIF11 (0.78) KIF11ALDH1A1MAOBTSHR
SCHEMBL197238 0.74 KIF11 (0.78) KIF11ALDH1A1MAOBTSHR
SCHEMBL10535630 0.73 MAPK14 (0.43) KDM4EPTGS2PTGS1MAOB
SCHEMBL21700372 0.72 NISCH (0.45) KIF11ALDH1A1NISCHGALR1SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104945298-A Trifluoromethyl thioperoxide and preparation method thereof SHANGHAI INST ORGANIC CHEM 2015-09-30 CN disclosed
US-20070299072-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2007-12-27 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-20070299072-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS KCNA5, KCNH1, KCNK5 KIF11 862/4885KDM4E 199/4885ALDH1A1 888/4885

“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.