Acetaldehyde

Acetaldehyde

SCHEMBL4861152

CC=O.Oc1cccc2ccoc12

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.39
ADORA2A P29274 3/20 0.39
ADORA1 P30542 3/20 0.39
ADORA3 P0DMS8 2/20 0.39
MAOB P27338 1/20 0.39
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL276859 0.88 ADORA2A (0.42) MAOAADORA2AADORA1ADORA3MAOB
SCHEMBL6261842 0.88 ADORA2A (0.42) MAOAADORA2AADORA1ADORA3MAOB
SCHEMBL28830792 0.86 ADORA2A (0.41) MAOAADORA2AADORA1ADORA3MAOB
SCHEMBL11210839 0.81 MAOA (0.41) MAOAADORA2AADORA1ADORA3MAOB
Acetaldehyde SCHEMBL4856093 0.78 HTR2A (0.39) MEN1NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL28264478 0.72 HPGD (0.43) ADORA2AADORA1ADORA3MEN1NPC1
SCHEMBL8058483 0.71 MEN1 (0.38) MEN1NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL1802080 0.71 MEN1 (0.42) MAOAMAOBTRIM24TRIM33MEN1
SCHEMBL29011348 0.71 EED (0.43)
Benzofuran SCHEMBL28203046 0.68 CYP2A6 (0.47) MAOAMAOBCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090860-A1 Retinoid x receptor modulators GARDINIER KEVIN M 2008-04-17 US disclosed
US-7348359-B2 Retinoid X receptor modulators ELI LILLY AND COMPANY (US) 2008-03-25 US disclosed
EP-1373240-B1 RETINOID X RECEPTOR MODULATORS LILLY CO ELI (US) 2005-06-15 EP disclosed
US-20040167160-A1 Retinoid x receptor modulators LIGAND PHARMACEUTICALS INCORPORATED 2004-08-26 US disclosed
EP-1373240-A2 RETINOID X RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-01-02 EP disclosed
WO-2002071827-A2 RETINOID X RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2002-09-19 WO 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 (2 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-20040167160-A1 Retinoid x receptor modulators RXRA, RXRG, RXRB MAOA 2457/4885ADORA2A 228/4885ADORA1 162/4885
US-20080090860-A1 Retinoid x receptor modulators RXRA, RXRG, RXRB MAOA 2309/4885ADORA2A 237/4885ADORA1 165/4885

“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.