SCHEMBL13130690

SCHEMBL13130690

CC(C)O/N=C1\CCCc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
LMNA P02545 1/20 0.51
L3MBTL1 Q9Y468 5/20 0.51
MAPT P10636 5/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
PLA2G1B P04054 1/20 0.51
ATG4B Q9Y4P1 1/20 0.51
HPGD P15428 1/20 0.50
NPC1 O15118 1/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
GAA P10253 2/20 0.48
ALOX12 P18054 1/20 0.48
PKM P14618 1/20 0.47
G6PC1 P35575 1/20 0.44
CYP2A6 P11509 1/20 0.42
MAOA P21397 1/20 0.42

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
SCHEMBL13130682 0.90 SMN1; SMN2 (0.43) ALDH1A1LMNAL3MBTL1MAPTMEN1
SCHEMBL13167840 0.81 ALDH1A1 (0.56) ALDH1A1LMNAL3MBTL1MAPTMEN1
SCHEMBL17190983 0.81 ALDH1A1 (0.56) ALDH1A1LMNAL3MBTL1MAPTMEN1
SCHEMBL17190976 0.77 L3MBTL1 (0.59) ALDH1A1LMNAL3MBTL1MAPTMEN1
SCHEMBL7100469 0.77 ALDH1A1 (0.52) ALDH1A1LMNAL3MBTL1MAPTMEN1
SCHEMBL16489784 0.74 L3MBTL1 (0.60) ALDH1A1LMNAL3MBTL1MAPTMEN1
SCHEMBL16489779 0.74 L3MBTL1 (0.60) ALDH1A1LMNAL3MBTL1MAPTMEN1
SCHEMBL12911265 0.74 L3MBTL1 (0.60) ALDH1A1LMNAL3MBTL1MAPTMEN1
SCHEMBL12609515 0.74 LMNA (0.68) ALDH1A1LMNAL3MBTL1MAPTMEN1
SCHEMBL5189232 0.74 LMNA (0.68) ALDH1A1LMNAL3MBTL1MAPTMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563732-B2 Oxyimino compounds and the use thereof SHIONOGI & CO., LTD. (JP) 2013-10-22 US disclosed
US-20100240703-A1 OXYIMINO COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2010-09-23 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-20100240703-A1 OXYIMINO COMPOUNDS AND THE USE THEREOF CACNA1A, CACNA1S, OPRM1 ALDH1A1 886/4885LMNA 2216/4885L3MBTL1 1643/4885

“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.