SCHEMBL23969001

SCHEMBL23969001

N#CC(C#N)C1c2cc(OC(F)(F)F)c(-c3ncc4ccccc4n3)cc2-c2cc(-c3ncc4ccccc4n3)c(OC(F)(F)F)cc21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.35
MCHR1 Q99705 4/20 0.33
ADRA2A P08913 3/20 0.33
NPY5R Q15761 3/20 0.33
ALPL P05186 2/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
KMT2A Q03164 1/20 0.32
HIF1A Q16665 1/20 0.32
TRPA1 O75762 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 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
SCHEMBL23969065 0.80 CYP1A2 (0.39) CYP1A2MEN1LMNACYP3A4GAA
SCHEMBL23968959 0.77 AR (0.36) MAPTTRPA1ALOX5APFEN1
SCHEMBL23969079 0.77 GRM5 (0.38) ALOX5APFEN1
SCHEMBL23968844 0.72 TRPA1 (0.31) TRPA1
SCHEMBL23968829 0.68
SCHEMBL23968831 0.68 AR (0.36) ALOX5APFEN1
SCHEMBL23968863 0.67 AR (0.40)
SCHEMBL23968865 0.66 KDM4E (0.32) MAPT
SCHEMBL21252801 0.66 GPR3 (0.41) MEN1CYP3A4MAPTKMT2AHIF1A
SCHEMBL23969031 0.65 USP1 (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 CYP1A2 758/4885MCHR1 4671/4885ADRA2A 4482/4885

“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.