SCHEMBL29914918

SCHEMBL29914918

FC(F)(F)c1cc(-c2cccc(-c3ccccc3)c2)c(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.40
KIF11 P52732 1/20 0.38
PTPN1 P18031 3/20 0.37
PTPN5 P54829 1/20 0.37
LDHA P00338 1/20 0.35
DHODH Q02127 1/20 0.35
CYP11B2 P19099 1/20 0.35
SYK P43405 1/20 0.35
MAOA P21397 1/20 0.34
KMO O15229 1/20 0.34
AR P10275 1/20 0.34
PDK2 Q15119 1/20 0.34
PTGER1 P34995 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER3 P43115 1/20 0.34
PTGER2 P43116 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
AKR1C4 P17516 1/20 0.34
AKR1C3 P42330 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
SCHEMBL29914846 0.89 KIF11 (0.45) KIF11PTPN5LDHACYP11B2AR
SCHEMBL6067691 0.89 KIF11 (0.39) SCN9AKIF11LDHACYP11B2AR
SCHEMBL30146607 0.78 SCN9A (0.59) SCN9AKIF11ARHSD11B1
SCHEMBL29914889 0.73 KIF11 (0.47) KIF11PTPN5LDHACYP11B2PDK2
SCHEMBL25480514 0.71 SCN9A (0.39) SCN9AKIF11PTPN5LDHACYP11B2
SCHEMBL2202989 0.70 ACHE (0.40) KIF11HSD11B1
SCHEMBL29266608 0.70 ACHE (0.40) KIF11HSD11B1
SCHEMBL14481975 0.69 ALDH1A1 (0.64) DHODHMAOAKMO
SCHEMBL19618929 0.69 ALDH1A1 (0.64) DHODHMAOAKMO
SCHEMBL28223418 0.69 HSD11B1 (0.49) SCN9AKIF11ARPDK2HSD11B1

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 SCN9A 3098/4885KIF11 3284/4885PTPN1 4149/4885

“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.