Propionaldehyde

Propionaldehyde

SCHEMBL4244592

CCC=O.c1cc2ccc1-2

nearest known ligand 0.60

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Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
MAPK1 P28482 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
SMN1; SMN2 Q16637 4/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
HRH3 Q9Y5N1 6/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
HPGD P15428 2/20 0.33
ALDH3A1 P30838 1/20 0.33
ALDH1A3 P47895 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
TSHR P16473 1/20 0.32
TRPA1 O75762 1/20 0.32
RARB P10826 1/20 0.31

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
Propionaldehyde SCHEMBL27568738 0.97 ALDH1A1 (0.56) ALDH1A1MAPK1TDP1SMN1; SMN2HTT
Propionaldehyde SCHEMBL27625042 0.89 ALDH1A1 (0.47) ALDH1A1MAPK1TDP1SMN1; SMN2HTT
Biphenyl SCHEMBL27273593 0.85 ALDH1A1 (0.50) ALDH1A1MAPK1TDP1SMN1; SMN2HTT
Butanal SCHEMBL28698816 0.79 ALDH1A1 (0.67) ALDH1A1MAPK1TDP1SMN1; SMN2HTT
Propionaldehyde SCHEMBL1332840 0.78
Propionaldehyde SCHEMBL4992 0.78
Propionaldehyde SCHEMBL28164384 0.78
Propionaldehyde SCHEMBL5310572 0.78
Propionaldehyde SCHEMBL7323052 0.78
Propionaldehyde SCHEMBL7564236 0.77 ALDH1A1 (0.47) ALDH1A1MAPK1TDP1RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115297728-A Agrochemical compositions of triazoles 阿达玛马克西姆有限公司 2022-11-04 CN claimed
US-5079000-A Fungicides, bactericides, insecticides useful for stored fruits and vegetables, natural products KURITA WATER INDUSTRIES LTD. (JP) 1992-01-07 US claimed
CN-114390926-A Sake replica prepared from individual components 艾娃食品实验室股份有限公司 2022-04-22 CN disclosed
CN-105707060-A Sustained-release agent and method using Alnus ferdinandi-coburgii secondary metabolite p-phenylethylketone to avoid Pinus yuannanensis pine shoot beetle 西南林业大学 2016-06-29 CN disclosed
CN-105707060-A Sustained-release agent and method using Alnus ferdinandi-coburgii secondary metabolite p-phenylethylketone to avoid Pinus yuannanensis pine shoot beetle 西南林业大学 2016-06-29 CN disclosed
US-20130196164-A1 THERMOPLASTIC POLYMER COMPOSITION AND MOLDED ARTICLE KURARAY CO., LTD. (JP) 2013-08-01 US disclosed
US-8241822-B2 Halogenated oxime derivatives and the use therof as latent acids BASF SE (DE) 2012-08-14 US disclosed
US-20090042114-A1 Halogenated oxime derivatives and the use therof as latent acids YAMATO HITOSHI 2009-02-12 US disclosed
US-5079000-A Fungicides, bactericides, insecticides useful for stored fruits and vegetables, natural products KURITA WATER INDUSTRIES LTD. (JP) 1992-01-07 US disclosed
US-5079000-A Fungicides, bactericides, insecticides useful for stored fruits and vegetables, natural products KURITA WATER INDUSTRIES LTD. (JP) 1992-01-07 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-20090042114-A1 Halogenated oxime derivatives and the use therof as latent acids AHR, CCNT1, RTF1 ALDH1A1 115/4885MAPK1 3390/4885TDP1 1700/4885

“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.