SCHEMBL23969066

SCHEMBL23969066

N#Cc1cc2c(cc1-c1ccc(OC(F)(F)F)cc1F)-c1cc(-c3ccc(OC(F)(F)F)cc3F)c(C#N)cc1C2C(C#N)C#N

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
GPR3 P46089 5/20 0.35
FFAR4 Q5NUL3 2/20 0.34
CYP1A2 P05177 2/20 0.33
PDE2A O00408 1/20 0.32
GRM2 Q14416 1/20 0.32
XDH P47989 1/20 0.31
ACACB O00763 1/20 0.31
TRPA1 O75762 1/20 0.30
SCN5A Q14524 1/20 0.30
SCN9A Q15858 1/20 0.30
FFAR1 O14842 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
SCHEMBL21252801 0.82 GPR3 (0.41) ALOX5APFEN1GPR3PDE2ATRPA1
SCHEMBL23968984 0.73 AR (0.32) SCN9A
SCHEMBL20083876 0.72 GPR3 (0.32) GPR3
SCHEMBL28364202 0.70 TRPV4 (0.48) GPR3FFAR4PDE2AACACBTRPA1
SCHEMBL23968968 0.70
SCHEMBL23968967 0.69
SCHEMBL23968863 0.68 AR (0.40) SCN9A
SCHEMBL23969122 0.68 KDM4E (0.39) SCN9A
SCHEMBL1263373 0.68 GPR3 (0.42) GPR3PDE2AACACBTRPA1SCN5A
SCHEMBL23968948 0.67 ALDH1A1 (0.37) CYP1A2

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 ALOX5AP 3064/4885FEN1 2520/4885GPR3 4622/4885

“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.