SCHEMBL25468628

SCHEMBL25468628

COc1cc(CC(C)C)cc(C(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 4/20 0.44
TAAR1 Q96RJ0 2/20 0.39
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ALDH1A1 P00352 1/20 0.34
SLC6A4 P31645 1/20 0.34
CALM1 P0DP23 1/20 0.34
MAOB P27338 2/20 0.34
ATM Q13315 1/20 0.34
MAOA P21397 1/20 0.34

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
SCHEMBL22861121 0.83 HMGCR (0.42) HMGCRATM
SCHEMBL171441 0.82 ALDH1A1 (0.52) TAAR1ALDH1A1SLC6A4CALM1
SCHEMBL25774449 0.82 HMGCR (0.49) HMGCRATM
SCHEMBL9879684 0.82 HMGCR (0.53) HMGCRATM
SCHEMBL22861019 0.79 PTGS2 (0.41) CA1CA2ALDH1A1CALM1
SCHEMBL20821162 0.78 CALM1 (0.56) TAAR1CALM1
SCHEMBL20285804 0.78 CA1 (0.42) CA1CA2ALDH1A1CALM1
SCHEMBL23511272 0.78 LMNA (0.38) HMGCRTAAR1ALDH1A1
SCHEMBL3807248 0.76 ALDH1A1 (0.53) CA1CA2ALDH1A1
SCHEMBL278798 0.76 ALDH1A1 (0.61) CA1CA2ALDH1A1

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-20230145050-A1 SULPHONYL UREA DERIVATIVES AS NLRP3 INFLAMMASOME MODULATORS NodThera Limited (GB) 2023-05-11 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-20230145050-A1 SULPHONYL UREA DERIVATIVES AS NLRP3 INFLAMMASOME MODULATORS NLRP3, NOD1, IL1B HMGCR 4449/4885TAAR1 4360/4885CA1 3624/4885

“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.