SCHEMBL25609403

SCHEMBL25609403

CCCNCc1cccc(OC)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.61
HTR2C P28335 1/20 0.61
ALOX5 P09917 1/20 0.58
PTGS2 P35354 1/20 0.58
GAA P10253 2/20 0.55
ALDH1A1 P00352 1/20 0.55
GFER P55789 1/20 0.55
MPO P05164 2/20 0.54
CHRM2 P08172 9/20 0.51
GRIN1 Q05586 4/20 0.51
GRIN2A Q12879 4/20 0.51
BCHE P06276 4/20 0.51
ACHE P22303 4/20 0.51
CHRM4 P08173 2/20 0.51
CHRM5 P08912 2/20 0.51
CHRM1 P11229 2/20 0.51
CHRM3 P20309 2/20 0.51
IDO1 P14902 1/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51

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
SCHEMBL27752893 0.86 HTR2A (0.60) HTR2AHTR2CALOX5PTGS2GAA
SCHEMBL27737431 0.83 CHRM2 (0.63) HTR2AHTR2CMPOCHRM2GRIN1
SCHEMBL29207914 0.83 HTR2A (0.57) HTR2AHTR2CGAAALDH1A1MPO
SCHEMBL8138468 0.83 CHRM2 (0.72) GAAALDH1A1CHRM2GRIN1GRIN2A
SCHEMBL5727444 0.82 CHRM2 (0.53) MPOCHRM2GRIN1GRIN2ABCHE
SCHEMBL13330463 0.82 ALDH1A1 (0.63) HTR2AHTR2CGAAALDH1A1CHRM2
SCHEMBL11711401 0.82 BCHE (0.66) HTR2AHTR2CGAAMPOBCHE
SCHEMBL8607958 0.82 CHRM2 (0.62) HTR2AHTR2CMPOCHRM2GRIN1
SCHEMBL30166692 0.82 BCHE (0.66) HTR2AHTR2CGAAMPOBCHE
Hydrochloric Acid SCHEMBL4354687 0.81 CHRM2 (0.73) GAAALDH1A1CHRM2GRIN1GRIN2A

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-20230181494-A1 COMPOSITIONS AND METHODS OF USE OF GAMMA-KETOALDEHYDE SCAVENGERS FOR TREATING, PREVENTING OR IMPROVING NONALCOHOLIC FATTY LIVER DISEASE (NAFLD), NASH, ALD OR CONDITIONS RELATED TO THE LIVER MTI BIOTECH, INC. 2023-06-15 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-20230181494-A1 COMPOSITIONS AND METHODS OF USE OF GAMMA-KETOALDEHYDE SCAVENGERS FOR TREATING, PREVENTING OR IMPROVING NONALCOHOLIC FATTY LIVER DISEASE (NAFLD), NASH, ALD OR CONDITIONS RELATED TO THE LIVER CPT1A, AKR7A2, FABP1 HTR2A 3310/4885HTR2C 3773/4885ALOX5 169/4885

“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.