SCHEMBL29914846

SCHEMBL29914846

FC(F)(F)c1cc(-c2ccc(-c3ccccc3)cc2)c(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.45
LDHA P00338 1/20 0.37
S1PR1 P21453 3/20 0.37
S1PR3 Q99500 1/20 0.37
CYP11B2 P19099 1/20 0.36
AR P10275 2/20 0.36
PDK2 Q15119 1/20 0.36
BACE1 P56817 2/20 0.36
GLO1 Q04760 1/20 0.36
HSD11B1 P28845 1/20 0.35
PLK1 P53350 1/20 0.35
PTPN5 P54829 1/20 0.34
ACHE P22303 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
SCHEMBL6067691 0.96 KIF11 (0.39) KIF11LDHAS1PR1S1PR3CYP11B2
SCHEMBL29914918 0.89 SCN9A (0.40) KIF11LDHACYP11B2ARPDK2
SCHEMBL29914889 0.83 KIF11 (0.47) KIF11LDHAS1PR1S1PR3CYP11B2
SCHEMBL29266608 0.76 ACHE (0.40) KIF11S1PR1S1PR3BACE1HSD11B1
SCHEMBL2202989 0.76 ACHE (0.40) KIF11S1PR1S1PR3BACE1HSD11B1
SCHEMBL28223418 0.76 HSD11B1 (0.49) KIF11ARPDK2HSD11B1
SCHEMBL27638533 0.75 S1PR1 (0.52) KIF11S1PR1S1PR3ARPDK2
SCHEMBL5523215 0.74 KIF11 (0.54) KIF11ARBACE1HSD11B1
SCHEMBL29980535 0.74 KIF11 (0.54) KIF11ARBACE1HSD11B1
SCHEMBL11286015 0.74 KIF11 (0.54) KIF11ARBACE1HSD11B1

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-11444250-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2022-09-13 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-11444250-B2 Composition of matter for use in organic light-emitting diodes CRY2, ALDH1A2, CYBA KIF11 3284/4885LDHA 344/4885S1PR1 4317/4885

“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.