SCHEMBL21340604

SCHEMBL21340604

CC(C)CN(CC(C)C)C(=O)COC(=O)C1=NNC(=O)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
MAPT P10636 4/20 0.57
RXFP1 Q9HBX9 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.44
TAAR1 Q96RJ0 1/20 0.44
GAA P10253 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL21340743 0.73 ALDH1A1 (0.53) ALDH1A1MAPTRXFP1L3MBTL1TAAR1
SCHEMBL1757748 0.69 NPC1 (0.47) ALDH1A1MAPTRXFP1L3MBTL1GAA
SCHEMBL22574714 0.64 GAA (0.45) ALDH1A1MAPTRXFP1L3MBTL1GAA
SCHEMBL13938473 0.63 NPC1 (0.46) ALDH1A1MAPTRXFP1L3MBTL1GAA
SCHEMBL21561630 0.63 CA1 (0.48) ALDH1A1MAPTKMT2ALMNAMEN1
SCHEMBL34468596 0.63 LMNA (0.57) ALDH1A1MAPTL3MBTL1GAAKMT2A
SCHEMBL5201218 0.60 SMYD3 (0.44) ALDH1A1MAPTRXFP1L3MBTL1GAA
SCHEMBL4151496 0.59 CA1 (0.52) ALDH1A1MAPTKMT2ALMNAMEN1
Succinimide SCHEMBL27555395 0.56 MAPK1 (0.40) ALDH1A1MAPTL3MBTL1GAAKMT2A
SCHEMBL25408527 0.56 KDM4E (0.42) ALDH1A1MAPTGAAKMT2ALMNA

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-20190277833-A1 ANTI-METHANOGENIC COMPOSITIONS SYNTHETIC BIOLOGICS INC (US) 2019-09-12 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-20190277833-A1 ANTI-METHANOGENIC COMPOSITIONS ME3, HSD17B10, OAT ALDH1A1 1674/4885MAPT 4000/4885RXFP1 4200/4885

“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.