SCHEMBL24570975

SCHEMBL24570975

CC(C)(C)OC(=O)CCC(C)(C)[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NR1D1 P20393 2/20 0.32
NR1H3 Q13133 1/20 0.32
MLYCD O95822 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
STING1 Q86WV6 1/20 0.31
EPHX2 P34913 1/20 0.30

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
SCHEMBL469785 0.85 ALDH1A1 (0.34) ALDH1A1L3MBTL1NR1D1HDAC3HDAC1
SCHEMBL16334088 0.85 ALDH1A1 (0.33) ALDH1A1L3MBTL1NR1D1HDAC3HDAC1
SCHEMBL475682 0.82 ALDH1A1 (0.51) ALDH1A1L3MBTL1LMNAMAPT
SCHEMBL12348353 0.80 ALDH1A1 (0.31) ALDH1A1L3MBTL1
SCHEMBL11374230 0.79 ALDH1A1 (0.45) ALDH1A1L3MBTL1LMNAMAPT
SCHEMBL16100071 0.79 MEN1 (0.34) ALDH1A1L3MBTL1LMNASTING1
SCHEMBL17521944 0.79 ALDH1A1 (0.31) ALDH1A1L3MBTL1STING1
SCHEMBL4565384 0.79 MEN1 (0.34) ALDH1A1L3MBTL1LMNASTING1
SCHEMBL6712289 0.78 ALDH1A1 (0.32) ALDH1A1L3MBTL1
SCHEMBL14754893 0.76 ALDH1A1 (0.30) ALDH1A1

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-20220204510-A1 2,3-DIHYDRO-1H-PYRROLIZINE-7-FORMAMIDE DERIVATIVE AND APPLICATION THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-06-30 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-20220204510-A1 2,3-DIHYDRO-1H-PYRROLIZINE-7-FORMAMIDE DERIVATIVE AND APPLICATION THEREOF DPYD, EIF2AK2, INF2 ALDH1A1 2381/4885L3MBTL1 4828/4885NR1D1 158/4885

“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.