SCHEMBL25609396

SCHEMBL25609396

CCCNCc1cc(OC)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.59
CA2 P00918 5/20 0.59
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
APLNR P35414 1/20 0.47
APP P05067 1/20 0.47
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
ERN1 O75460 1/20 0.44
MPO P05164 1/20 0.43

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
SCHEMBL18182124 0.82 HTR2A (0.62) APLNRHTR2AHTR2C
SCHEMBL15677689 0.81 CA1 (0.61) CA1CA2LMNAGAAMTNR1A
SCHEMBL19954239 0.81 ADRB2 (0.51) LMNAGAAAPLNRHTR2AHTR2C
SCHEMBL18256578 0.79 APLNR (0.77) APLNRHTR2AHTR2C
SCHEMBL4754996 0.78 CA1 (0.66) CA1CA2LMNAGAA
SCHEMBL18754079 0.78 AMY1A (0.49) CA2GAAMPO
SCHEMBL9689514 0.78 CA1 (0.65) CA1CA2HTR2AHTR2C
SCHEMBL10366349 0.78 MTNR1A (0.56) CA1CA2LMNAGAAMTNR1A
SCHEMBL13987051 0.77 CA2 (0.49) CA1CA2LMNA
SCHEMBL805304 0.77 MTNR1A (0.55) CA1CA2LMNAGAAMTNR1A

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 CA1 3357/4885CA2 3306/4885LMNA 703/4885

“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.