Undecanal

Undecanal

SCHEMBL345472

CCCCCCCCCCC=O.[AlH3]

nearest known ligand 0.94

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.94
FAAH O00519 2/20 0.80
TRPV1 Q8NER1 2/20 0.80
ALDH1A1 P00352 2/20 0.53
EPHX1 P07099 1/20 0.52
ADH1B P00325 1/20 0.52
ADH1C P00326 1/20 0.52
ADH1A P07327 1/20 0.52
ADH4 P08319 1/20 0.52
ADH7 P40394 1/20 0.52
HIF1A Q16665 1/20 0.50
THRB P10828 1/20 0.47
EP300 Q09472 1/20 0.44
DNM1 Q05193 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
Heptanal SCHEMBL8715044 1.00
SCHEMBL330252 1.00 TSHR (0.94) TSHRFAAHTRPV1ALDH1A1EPHX1
Dodecanal SCHEMBL3862727 1.00 TSHR (0.94) TSHRFAAHTRPV1ALDH1A1EPHX1
Decanal SCHEMBL10629273 1.00 TSHR (0.94) TSHRFAAHTRPV1ALDH1A1EPHX1
Octanal SCHEMBL4464170 1.00 TSHR (0.94) TSHRFAAHTRPV1ALDH1A1EPHX1
Tridecanal SCHEMBL1229414 1.00 TSHR (0.94) TSHRFAAHTRPV1ALDH1A1EPHX1
Tetradecanal SCHEMBL11597173 1.00 TSHR (0.94) TSHRFAAHTRPV1ALDH1A1EPHX1
Decanal SCHEMBL1872948 0.97 TSHR (1.00) TSHRFAAHTRPV1ALDH1A1EPHX1
Undecanal SCHEMBL22333 0.97 TSHR (1.00) TSHRFAAHTRPV1ALDH1A1EPHX1
Tridecanal SCHEMBL38928 0.97 TSHR (1.00) TSHRFAAHTRPV1ALDH1A1EPHX1

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 198 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10869817-B2 Antiperspirant stick compositions Henkel IP & Holding GmbH 2020-12-22 US claimed
US-10835483-B2 Antiperspirant stick compositions Henkel IP & Holding GmbH 2020-11-17 US claimed
US-10821068-B2 Antiperspirant stick compositions Henkel IP & Holding GmbH (DE) 2020-11-03 US claimed
EP-3709952-A1 ANTIPERSPIRANT STICK COMPOSITIONS Henkel IP & Holding GmbH (DE) 2020-09-23 EP claimed
EP-3694469-A1 ANTIPERSPIRANT STICK COMPOSITIONS Henkel IP & Holding GmbH (DE) 2020-08-19 EP claimed
EP-3694473-A1 ANTIPERSPIRANT STICK COMPOSITIONS Henkel IP & Holding GmbH (DE) 2020-08-19 EP claimed
US-10688322-B2 Use of polysaccharides in antiperspirant cosmetic agents for protecting textiles HENKEL AG & CO. KGAA (DE) 2020-06-23 US claimed
WO-2019074647-A1 ANTIPERSPIRANT STICK COMPOSITIONS Henkel IP & Holding GmbH (DE) 2019-04-18 WO claimed
WO-2019074644-A1 ANTIPERSPIRANT STICK COMPOSITIONS Henkel IP & Holding GmbH (DE) 2019-04-18 WO claimed
WO-2019074646-A1 ANTIPERSPIRANT STICK COMPOSITIONS Henkel IP & Holding GmbH (DE) 2019-04-18 WO claimed
US-20160206529-A1 ANTIPERSPIRANT COSMETIC AGENTS HAVING ALPHA-HYDROXY ACIDS HENKEL AG & CO. KGAA (DE) 2016-07-21 US claimed
US-20160199284-A1 USE OF POLYSACCHARIDES IN ANTIPERSPIRANT COSMETIC AGENTS FOR PROTECTING TEXTILES HENKEL AG & CO. KGAA (DE) 2016-07-14 US claimed
US-20160199289-A1 COSMETIC ANTIPERSPIRANTS WITH LACTATES HENKEL AG & CO. KGAA (DE) 2016-07-14 US claimed
US-20160199288-A1 COSMETIC ANTIPERSPIRANTS WITH AMIDOSULPHONIC ACIDS HENKEL AG & CO. KGAA (DE) 2016-07-14 US claimed
US-20160199287-A1 COSMETIC ANTIPERSPIRANTS WITH ALKYLSUPHONIC ACIDS HENKEL AG & CO. KGAA (DE) 2016-07-14 US claimed
US-20150118173-A1 FORMULATION COMPRISING CAPRYLIC ACID ETHANOLAMIDE AND/OR CAPRIC ACID ETHANOLAMIDE IN COMBINATION WITH AN ALUMINIUM SALT AND ITS USE EVONIK INDUSTRIES AG (DE) 2015-04-30 US claimed
EP-2841050-A1 FORMULATION CONTAINING CAPRYLIC ACID ETHANOLAMIDE AND/OR CAPROIC ACID ETHANOLAMIDE IN COMBINATION WITH AN ALUMINUM SALT Evonik Industries AG (DE) 2015-03-04 EP claimed
WO-2013160065-A1 FORMULATION CONTAINING CAPRYLIC ACID ETHANOLAMIDE AND/OR CAPROIC ACID ETHANOLAMIDE IN COMBINATION WITH AN ALUMINUM SALT EVONIK INDUSTRIES AG (DE) 2013-10-31 WO claimed
EP-0972512-B1 Cosmetic composition containing pigments, an antiperspirant and a solid elastomeric partially crosslinked organopolysiloxane, use of such a composition OREAL (FR) 2002-01-02 EP claimed
US-6251412-B1 USE IN MAKE-UP, TO IMPROVE THE STAYING POWER OF THE COLOR OF THE COMPOSITION L'OREAL (FR) 2001-06-26 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20160199287-A1 COSMETIC ANTIPERSPIRANTS WITH ALKYLSUPHONIC ACIDS HRH3, HRH2, HRH1 TSHR 2406/4885FAAH 44/4885TRPV1 85/4885
US-20160206529-A1 ANTIPERSPIRANT COSMETIC AGENTS HAVING ALPHA-HYDROXY ACIDS HRH1, HRH3, HAAO TSHR 2299/4885FAAH 20/4885TRPV1 408/4885
US-20150118173-A1 FORMULATION COMPRISING CAPRYLIC ACID ETHANOLAMIDE AND/OR CAPRIC ACID ETHANOLAMIDE IN COMBINATION WITH AN ALUMINIUM SALT AND ITS USE CAPRIN1, ADH1A, ETV6 TSHR 1926/4885FAAH 252/4885TRPV1 1187/4885
US-20160199289-A1 COSMETIC ANTIPERSPIRANTS WITH LACTATES LDHA, LCT, LPO TSHR 2560/4885FAAH 1007/4885TRPV1 133/4885
US-20160199288-A1 COSMETIC ANTIPERSPIRANTS WITH AMIDOSULPHONIC ACIDS MSH6, HRH2, H1-10 TSHR 1852/4885FAAH 10/4885TRPV1 369/4885

“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.