Butanal

Butanal

SCHEMBL19260201

CCCC=O.c1ccc(CCc2ccccc2)cc1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
SIGMAR1 Q99720 2/20 0.46
ADH1B P00325 1/20 0.43
ADH1C P00326 1/20 0.43
ADH1A P07327 1/20 0.43
ADH7 P40394 1/20 0.43
TP53 P04637 1/20 0.42
FFAR1 O14842 1/20 0.42
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KCNH2 Q12809 1/20 0.41
TAAR1 Q96RJ0 2/20 0.40
ATM Q13315 1/20 0.40
KEAP1 Q14145 1/20 0.40
AOX1 Q06278 1/20 0.40

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
Butanal SCHEMBL29057356 0.94 ALDH1A1 (0.50) ALDH1A1SIGMAR1ADH1BADH1CADH1A
Butylbenzyl SCHEMBL28588933 0.90 SIGMAR1 (0.50) ALDH1A1SIGMAR1HPGDHSD17B10KCNH2
Dihydrocinnamaldehyde SCHEMBL8109306 0.83 ADH1B (0.43) ALDH1A1SIGMAR1ADH1BADH1CADH1A
Butanal SCHEMBL4564646 0.82 ADRA1A (0.41) ALDH1A1SIGMAR1HPGDHSD17B10KCNH2
Biphenyl SCHEMBL27276932 0.82 ALDH1A1 (0.57) ALDH1A1ADH1BADH1CADH1AADH7
Dihydrocinnamaldehyde SCHEMBL1335 0.81 ADH1B (0.50) ALDH1A1SIGMAR1ADH1BADH1CADH1A
Dihydrocinnamaldehyde SCHEMBL29052009 0.81 TDP1 (0.48) ALDH1A1ADH1BADH1CADH1AADH7
Benzene SCHEMBL28318079 0.81 ALDH1A1 (0.80) ALDH1A1ADH1BADH1CADH1AADH7
Butanal SCHEMBL7141217 0.80 ALDH1A1 (0.61) ALDH1A1SIGMAR1ADH1BADH1CADH1A
Toluene SCHEMBL9799830 0.80 ALDH1A1 (0.55) ALDH1A1ADH1BADH1CADH1AADH7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3416729-B1 PRO-FRAGRANCE COMPOSITION AQDOT LTD (GB) 2023-09-20 EP disclosed
US-10695277-B2 Pro-fragrance composition AQDOT LIMITED (GB) 2020-06-30 US disclosed
US-20190046426-A1 PRO-FRAGRANCE COMPOSITION AQDOT LIMITED (GB) 2019-02-14 US disclosed
EP-3416729-A1 PRO-FRAGRANCE COMPOSITION Aqdot Limited (GB) 2018-12-26 EP disclosed
WO-2017141030-A1 PRO-FRAGRANCE COMPOSITION AQDOT LIMITED (GB) 2017-08-24 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-20190046426-A1 PRO-FRAGRANCE COMPOSITION COPS5, COPS8, CBR3 ALDH1A1 1526/4885SIGMAR1 844/4885ADH1B 3562/4885
US-10695277-B2 Pro-fragrance composition COPS5, COPS8, CBR3 ALDH1A1 1526/4885SIGMAR1 844/4885ADH1B 3562/4885

“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.