Beta-Ionone

Beta-Ionone

SCHEMBL12501745

C=O.CC(=O)C=CC1=C(C)CCCC1(C)C

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.71
HAO1 Q9UJM8 1/20 0.61
ALDH1A1 P00352 8/20 0.60
PTGS1 P23219 4/20 0.60
LMNA P02545 2/20 0.60
DRD3 P35462 2/20 0.60
SLCO1B3 Q9NPD5 1/20 0.60
SLCO1B1 Q9Y6L6 1/20 0.60
RARA P10276 6/20 0.59
RARB P10826 6/20 0.59
RARG P13631 6/20 0.59
RXRA P19793 5/20 0.59
MAPT P10636 5/20 0.59
CYP3A4 P08684 4/20 0.59
APP P05067 3/20 0.59
SNCA P37840 3/20 0.59
RXRB P28702 2/20 0.59
RXRG P48443 2/20 0.59
RORC P51449 2/20 0.59
ADORA3 P0DMS8 2/20 0.59

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
Beta-Ionone SCHEMBL23954 0.97 CYP1A2 (0.76) CYP1A2HAO1ALDH1A1PTGS1LMNA
Beta-Ionone SCHEMBL17627827 0.97 CYP1A2 (0.76) CYP1A2HAO1ALDH1A1PTGS1LMNA
Beta-Ionone SCHEMBL1867200 0.97 CYP1A2 (0.76) CYP1A2HAO1ALDH1A1PTGS1LMNA
Beta-Ionone SCHEMBL23953 0.97 CYP1A2 (0.76) CYP1A2HAO1ALDH1A1PTGS1LMNA
Beta-Ionone SCHEMBL29180287 0.95 CYP1A2 (0.73) CYP1A2HAO1ALDH1A1PTGS1LMNA
Beta-Ionone SCHEMBL11728252 0.95 CYP1A2 (0.73) CYP1A2HAO1ALDH1A1PTGS1LMNA
Beta-Ionone SCHEMBL11651364 0.91 CYP1A2 (0.68) CYP1A2HAO1ALDH1A1PTGS1LMNA
Beta-Ionone SCHEMBL8367948 0.88 CYP1A2 (0.64) CYP1A2HAO1ALDH1A1PTGS1LMNA
Beta-Ionone SCHEMBL8367949 0.88 CYP1A2 (0.64) CYP1A2HAO1ALDH1A1PTGS1LMNA
Beta-Ionone SCHEMBL10908008 0.87 CYP1A2 (0.62) CYP1A2HAO1ALDH1A1PTGS1LMNA

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
EP-3965834-B1 USE OF A MALODOR COUNTERACTING COMPOSITION AND METHOD THEREOF CHEMCOM SA (BE) 2024-01-24 EP disclosed
US-11382848-B2 Compounds reducing malodour perception and the use thereof CHEMCOM S.A. (BE) 2022-07-12 US disclosed
US-20220125983-A1 MALODOR COUNTERACTING COMPOSITION AND AGENT AND THE USE THEREOF CHEMCOM S.A. (BE) 2022-04-28 US disclosed
EP-3573944-B1 COMPOUNDS REDUCING MALODOUR PERCEPTION AND THE USE THEREOF CHEMCOM SA (BE) 2022-03-02 EP disclosed
WO-2020224754-A1 MALODOR COUNTERACTING COMPOSITION AND AGENT AND THE USE THEREOF CHEMCOM S.A. (BE) 2020-11-12 WO disclosed
WO-2018138369-A1 COMPOUNDS REDUCING MALODOUR PERCEPTION AND THE USE THEREOF CHEMCOM S.A. (BE) 2018-08-02 WO disclosed
US-20150004126-A9 COMPOSITIONS GIVAUDAN S.A. (CH) 2015-01-01 US disclosed
US-20140178326-A1 COMPOSITIONS GIVAUDAN S.A. (CH) 2014-06-26 US disclosed
EP-2667901-A1 COMPOSITIONS Givaudan SA (CH) 2013-12-04 EP disclosed
WO-2012101241-A1 COMPOSITIONS GIVAUDAN SA (CH) 2012-08-02 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 (3 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-11382848-B2 Compounds reducing malodour perception and the use thereof OR51E2, OR10J3, SRD5A1 CYP1A2 394/4885HAO1 1145/4885ALDH1A1 248/4885
US-20140178326-A1 COMPOSITIONS ASNS, GLUL, NAALAD2 CYP1A2 2257/4885HAO1 1427/4885ALDH1A1 819/4885
US-20150004126-A9 COMPOSITIONS ASNS, GLUL, NAALAD2 CYP1A2 2257/4885HAO1 1427/4885ALDH1A1 819/4885

“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.