Acetaldehyde

Acetaldehyde

SCHEMBL4115602

CC(C)(C)NC(=O)CCl.CC=O

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
POLB P06746 2/20 0.35
HDAC2 Q92769 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 2/20 0.34
MAPT P10636 2/20 0.33
TSHR P16473 2/20 0.33
EGFR P00533 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL263784 0.91
Propionic Acid SCHEMBL23467114 0.80 FFAR3 (0.43) ALDH1A1POLBCA1CA2SMN1; SMN2
SCHEMBL3181863 0.74 ALDH1A1 (0.43) ALDH1A1POLBHDAC2CA1CA2
SCHEMBL28941963 0.73 ALDH1A1 (0.50) ALDH1A1POLBSMN1; SMN2NPC1GAA
SCHEMBL12350124 0.72 TDP1 (0.36) ALDH1A1SMN1; SMN2EGFR
SCHEMBL18026348 0.72 ALDH1A1 (0.47) ALDH1A1POLBHDAC2CA1CA2
SCHEMBL18893579 0.71 POLB (0.37) ALDH1A1POLBHDAC2CA1CA2
SCHEMBL19994668 0.71 POLB (0.37) ALDH1A1POLBHDAC2CA1CA2
SCHEMBL3318249 0.71 SMN1; SMN2 (0.44) ALDH1A1POLBHDAC2CA1CA2
SCHEMBL29261236 0.71 POLB (0.40) ALDH1A1POLBSMN1; SMN2NPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546452-B2 S1P3 receptor antagonist TOA EIYO LTD. (JP) 2013-10-01 US disclosed
US-20090170895-A1 S1P3 RECEPTOR ANTAGONIST TOA EIYO LTD. (JP) 2009-07-02 US disclosed
EP-1935874-A1 S1P3 RECEPTOR ANTAGONIST TOA EIYO LTD. (JP) 2008-06-25 EP 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-20090170895-A1 S1P3 RECEPTOR ANTAGONIST S1PR3, S1PR5, GPR3 ALDH1A1 3155/4885POLB 4492/4885HDAC2 930/4885

“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.