SCHEMBL22326382

SCHEMBL22326382

CCC(C)(C)N(C)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
RIPK1 Q13546 2/20 0.45
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SIGMAR1 Q99720 1/20 0.43
ABCB1 P08183 1/20 0.43
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
CCR6 P51684 1/20 0.42
PAX8 Q06710 1/20 0.42
LMNA P02545 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41

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
SCHEMBL22780788 0.88 ALDH1A1 (0.50) ALDH1A1MAPTHPGDRIPK1MAPK1
SCHEMBL23944461 0.85 ALDH1A1 (0.55) ALDH1A1MAPTHPGDMAPK1L3MBTL1
SCHEMBL25901621 0.84 ALDH1A1 (0.53) ALDH1A1MAPTHPGDMAPK1L3MBTL1
SCHEMBL23944994 0.83 MBOAT4 (0.47) ALDH1A1MAPTHPGDMAPK1L3MBTL1
SCHEMBL1285759 0.83 ALDH1A1 (0.51) ALDH1A1MAPTHPGDMAPK1L3MBTL1
SCHEMBL19139780 0.81 MMP8 (0.48) ALDH1A1MAPTHPGDMAPK1L3MBTL1
SCHEMBL13300890 0.80 ALDH1A1 (0.49) ALDH1A1MAPTHPGDRIPK1MAPK1
SCHEMBL13397665 0.80 ALDH1A1 (0.53) ALDH1A1MAPTHPGDMAPK1L3MBTL1
SCHEMBL16068200 0.80 KMT2A (0.47) ALDH1A1MAPTHPGDMAPK1L3MBTL1
SCHEMBL11566331 0.80 ALDH1A1 (0.45) ALDH1A1MAPTHPGDRIPK1MAPK1

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-10736878-B2 Treatment of organophosphate exposure with triptans PFADENHAUER TINA (US) 2020-08-11 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-10736878-B2 Treatment of organophosphate exposure with triptans DDT, THOP1, TPP1 ALDH1A1 1032/4885MAPT 3397/4885HPGD 1263/4885

“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.