SCHEMBL25468629

SCHEMBL25468629

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DHFR P00374 1/20 0.33
MAPT P10636 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
APEX1 P27695 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
CYP1A1 P04798 1/20 0.31

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
SCHEMBL10084735 0.82 RXRA (0.40) ALDH1A1L3MBTL1KMT2ALMNAMEN1
SCHEMBL25468626 0.82 ALDH1A1 (0.38) CA1CA2ALDH1A1MAPK1TDP1
SCHEMBL9445182 0.81 GABRA1 (0.30) GABRA1GABRB2
SCHEMBL3807248 0.80 ALDH1A1 (0.53) CA1CA2ALDH1A1MAPK1TDP1
SCHEMBL278798 0.80 ALDH1A1 (0.61) CA1CA2ALDH1A1MAPK1TDP1
SCHEMBL40553 0.80 ALDH1A1 (0.61) CA1CA2ALDH1A1KMT2AMEN1
SCHEMBL12248242 0.80 ALDH1A1 (0.53) CA1CA2ALDH1A1MAPK1TDP1
SCHEMBL377542 0.80 GABRA1 (0.48) ALDH1A1TDP1TSHRMAPTGABRA1
SCHEMBL7085860 0.80 GABRA1 (0.42) ALDH1A1TDP1TSHRL3MBTL1MAPT
SCHEMBL25468624 0.79 ALDH1A1 (0.36) ALDH1A1MAPK1TDP1TSHRL3MBTL1

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 CA1 3624/4885CA2 3832/4885ALDH1A1 612/4885

“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.