SCHEMBL24434854

SCHEMBL24434854

CC(C)C(C)(C)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
IDO1 P14902 1/20 0.41
TRPA1 O75762 1/20 0.40
AGXT P21549 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SLC6A2 P23975 3/20 0.39
TAAR1 Q96RJ0 3/20 0.39
MAOA P21397 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CYP2A6 P11509 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL23034610 0.85 TSHR (0.39) TSHRIDO1TRPA1AGXTALDH1A1
SCHEMBL28484977 0.79 TSHR (0.40) TSHRIDO1TRPA1AGXTALDH1A1
SCHEMBL726130 0.78 TSHR (0.52) TSHRIDO1AGXTALDH1A1SLC6A2
SCHEMBL11625744 0.78 TSHR (0.52) TSHRIDO1AGXTALDH1A1SLC6A2
SCHEMBL5016440 0.78 TSHR (0.52) TSHRIDO1AGXTALDH1A1SLC6A2
SCHEMBL10940340 0.78 TSHR (0.52) TSHRIDO1AGXTALDH1A1SLC6A2
SCHEMBL5344530 0.77 CA1 (0.41) TSHRTRPA1ALDH1A1SLC6A2TAAR1
SCHEMBL13931102 0.77 TSHR (0.46) TSHRIDO1TRPA1AGXTALDH1A1
SCHEMBL13641903 0.76 TSHR (0.41) TSHRIDO1TRPA1AGXTALDH1A1
SCHEMBL9172757 0.76 TSHR (0.41) TSHRIDO1AGXTALDH1A1SLC6A2

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-20220153732-A1 PROTEIN SECRETION INHIBITORS ENODIA THERAPEUTICS SAS (FR) 2022-05-19 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-20220153732-A1 PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G TSHR 2467/4885IDO1 4322/4885TRPA1 4534/4885

“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.