Citral

Citral

SCHEMBL870746

CC(C)=CCC/C(C)=C/C=O.O=Cc1ccccc1

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
PPARG P37231 2/20 0.48
PPARA Q07869 2/20 0.48
TRPV1 Q8NER1 2/20 0.44
CYP2A6 P11509 1/20 0.44
LMNA P02545 4/20 0.43
MAPT P10636 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
HIF1A Q16665 2/20 0.43
ICMT O60725 1/20 0.43
GMNN O75496 1/20 0.43
TRPA1 O75762 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
CDK2 P24941 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43

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
Citral SCHEMBL20856837 1.00 ALDH1A1 (0.66) ALDH1A1PPARGPPARATRPV1CYP2A6
Citral SCHEMBL8031899 0.87 ALDH1A1 (0.60) ALDH1A1PPARGPPARATRPV1LMNA
Citral SCHEMBL28163112 0.86 ALDH1A1 (0.68) ALDH1A1PPARGPPARATRPV1LMNA
Citral SCHEMBL27748298 0.86 ALDH1A1 (0.68) ALDH1A1PPARGPPARATRPV1LMNA
Citral SCHEMBL779853 0.84 ALDH1A1 (0.66) ALDH1A1PPARGPPARATRPV1LMNA
Citral SCHEMBL28315258 0.84 ALDH1A1 (0.57) ALDH1A1PPARGPPARATRPV1LMNA
Citral SCHEMBL27853075 0.84 ALDH1A1 (0.70) ALDH1A1TRPV1LMNAMAPTCYP1A2
Farnesol SCHEMBL19555654 0.83 MAPT (0.61) ALDH1A1PPARGPPARATRPV1LMNA
Citral SCHEMBL28204466 0.83 ALDH1A1 (0.95) ALDH1A1LMNAMAPTCYP3A4POLB
Citral SCHEMBL19357313 0.81 ALDH1A1 (1.00) ALDH1A1LMNAMAPTCYP3A4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240090498-A1 ANTIMICROBIAL COMPOSITIONS TAKASAGO INTERNATIONAL CORPORATION (JP) 2024-03-21 US disclosed
CN-108882737-A Emulsification composition and powder composition 长谷川香料株式会社 2018-11-23 CN disclosed
EP-2221039-B1 Antiperspirant compositions UNILEVER PLC NO 41424 (GB) 2017-11-22 EP disclosed
EP-2181691-B1 Antiperspirant compositions UNILEVER PLC (GB) 2016-12-21 EP disclosed
EP-2179719-B1 Antiperspirant or deodorant compositions UNILEVER PLC (GB) 2016-10-12 EP disclosed
EP-2181692-B1 Antiperspirant compositions UNILEVER PLC (GB) 2016-09-28 EP disclosed
US-20150296774-A1 ANTIMICROBIAL COMPOSITIONS TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-10-22 US disclosed
US-20130071347-A1 ANTIMICROBIAL COMPOSITIONS TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-03-21 US disclosed
US-20120076839-A1 ANTIPERSPIRANT COMPOSITIONS CONOPCO, INC., D/B/A UNILEVER 2012-03-29 US disclosed
WO-2010094546-A2 ANTIPERSPIRANT COMPOSITIONS UNILEVER PLC (GB) 2010-08-26 WO disclosed
EP-2221039-A1 Antiperspirant compositions Unilever Plc, A Company Registered In England And Wales under company no. 41424 of Unilever House (GB) 2010-08-25 EP disclosed
EP-2181692-A1 Antiperspirant compositions Unilever PLC (GB) 2010-05-05 EP disclosed
EP-2181691-A1 Antiperspirant compositions Unilever PLC (GB) 2010-05-05 EP disclosed
EP-2179719-A1 Antiperspirant or deodorant compositions Unilever PLC (GB) 2010-04-28 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 (4 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-20120076839-A1 ANTIPERSPIRANT COMPOSITIONS HNMT, HRH2, HTR2A ALDH1A1 1708/4885PPARG 3605/4885PPARA 2210/4885
US-20150296774-A1 ANTIMICROBIAL COMPOSITIONS GPX4, AADAC, TST ALDH1A1 68/4885PPARG 1904/4885PPARA 966/4885
US-20130071347-A1 ANTIMICROBIAL COMPOSITIONS GPX4, AADAC, TST ALDH1A1 68/4885PPARG 1904/4885PPARA 966/4885
US-20240090498-A1 ANTIMICROBIAL COMPOSITIONS GPX4, AADAC, TST ALDH1A1 68/4885PPARG 1904/4885PPARA 966/4885

“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.