Acetaldehyde

Acetaldehyde

SCHEMBL5095402

CC=O.COc1ccccc1OC(=O)c1cn(-c2ccccc2)c2ccccc2c1=O

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.55
RORC P51449 1/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
HTR7 P34969 1/20 0.43
CHRM1 P11229 1/20 0.42
PLA2G4A P47712 1/20 0.41
TP53 P04637 3/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK8 P45983 1/20 0.39

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
SCHEMBL30309428 0.81 NR4A2 (0.81) NR4A2ALDH1A1LMNAKDM4EMEN1
SCHEMBL28345593 0.81 NR4A2 (0.81) NR4A2ALDH1A1LMNAKDM4EMEN1
SCHEMBL5095400 0.78 NR4A2 (0.51) NR4A2ALDH1A1LMNAKDM4EMAPT
SCHEMBL5101006 0.76 NR4A2 (0.59) NR4A2ALDH1A1LMNAKDM4EMAPT
SCHEMBL27868258 0.75 NR4A2 (0.56) NR4A2RORCALDH1A1LMNAKDM4E
SCHEMBL30615755 0.75 NR4A2 (0.56) NR4A2RORCALDH1A1LMNAKDM4E
SCHEMBL30309433 0.74 KDM4E (0.61) NR4A2RORCLMNAKDM4ECHRM1
SCHEMBL5100563 0.74 KDM4E (0.61) NR4A2RORCLMNAKDM4ECHRM1
SCHEMBL408819 0.72 NR4A2 (1.00) NR4A2ALDH1A1LMNAKDM4EMAPT
SCHEMBL16285135 0.72 NR4A2 (0.56) NR4A2RORCALDH1A1LMNAKDM4E

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-7339061-B2 3-(4-oxo-4H-chromen-2-yl)-(1H)-quinolin-4-one derivatives, method for preparing same and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2008-03-04 US disclosed
US-20060063801-A1 Novel 3-(4-oxo-4h-chromen-2-yl)-(1H)-quinolin-4-one derivatives, method for preparing same and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2006-03-23 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-20060063801-A1 Novel 3-(4-oxo-4h-chromen-2-yl)-(1H)-quinolin-4-one derivatives, method for preparing same and pharmaceutical compositions containing same H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, RB1 NR4A2 671/4885RORC 354/4885ALDH1A1 543/4885

“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.