SCHEMBL23969105

SCHEMBL23969105

N#Cc1cc2c(cc1-c1ccc(C(F)(F)F)cc1)C(C(C#N)C#N)c1cc(-c3ccc(C(F)(F)F)cc3)c(C#N)cc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.41
XDH P47989 1/20 0.38
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
AR P10275 4/20 0.35
CNR1 P21554 1/20 0.35
PTPN5 P54829 1/20 0.35
CYP11B1 P15538 3/20 0.34
CYP11B2 P19099 3/20 0.34
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
KDM1A O60341 1/20 0.33
PGR P06401 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32

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
SCHEMBL21370780 0.83 KIF11 (0.42) KIF11ALOX5APFEN1ALDH1A1MAPT
SCHEMBL23968948 0.76 ALDH1A1 (0.37) ALDH1A1TDP1ARCNR1
SCHEMBL29876988 0.73 KIF11 (0.53) KIF11XDHALOX5APFEN1ALDH1A1
SCHEMBL23968845 0.73 USP8 (0.47) KIF11XDHALOX5APFEN1ALDH1A1
SCHEMBL23968967 0.71
SCHEMBL23969122 0.70 KDM4E (0.39) CYP11B2
SCHEMBL23968849 0.70
SCHEMBL21917429 0.69 KIF11 (0.42) KIF11XDHALOX5APFEN1ALDH1A1
SCHEMBL21917103 0.69 KIF11 (0.42) KIF11XDHALOX5APFEN1ALDH1A1
SCHEMBL21370957 0.69 P2RY14 (0.32) KIF11

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-11165025-B2 Compound and organic electronic element comprising same LG CHEM, LTD. 2021-11-02 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-11165025-B2 Compound and organic electronic element comprising same OR10J3, ESR1, ETV6 KIF11 2390/4885XDH 716/4885ALOX5AP 3064/4885

“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.