SCHEMBL26332445

SCHEMBL26332445

COc1ccc2c(c1)C(=O)c1c-2ccc2c1-c1ccc(OC(F)(F)F)cc1C2=C(C#N)C#N

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 6/20 0.38
USP8 P40818 2/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
CES1 P23141 1/20 0.36
BACE1 P56817 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
NTRK1 P04629 1/20 0.33
TGM2 P21980 1/20 0.33

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
SCHEMBL20594275 0.94 MAPT (0.40) CHRM5MAPTTDP1ALDH1A1GAA
SCHEMBL22109136 0.85 CES1 (0.39) CHRM5MAPTTDP1ALDH1A1GAA
SCHEMBL22109487 0.85 GPR3 (0.39) MAPTTDP1ALDH1A1GAAPKM
SCHEMBL12148955 0.81 GPR3 (0.44) MAPTTDP1ALDH1A1GAAPKM
SCHEMBL15779912 0.80 GPR3 (0.41) MAPTTDP1ALDH1A1GAAPKM
SCHEMBL12198207 0.78 ALDH1A1 (0.37) MAPTTDP1ALDH1A1GAAPKM
SCHEMBL26332378 0.78 GPR3 (0.39) MAPTTDP1ALDH1A1GAAPKM
SCHEMBL15779904 0.78 GPR3 (0.39) MAPTKDM4ETDP1ALDH1A1GAA
SCHEMBL20779040 0.77 GPR3 (0.42) MAPTTDP1ALDH1A1GAAPKM
SCHEMBL24757209 0.77 GPR3 (0.38) MAPTTDP1ALDH1A1GAAPKM

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-11767299-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2023-09-26 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-11767299-B2 Materials for organic electroluminescent devices L1CAM, EFNA1, EPCAM CHRM5 584/4885USP8 4862/4885MAPT 1878/4885

“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.