SCHEMBL424483

SCHEMBL424483

CCC(COC(=O)CC(O)(CC(=O)O)C(=O)O)(COC(=O)CC(O)(CC(=O)O)C(=O)O)COC(=O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 8/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 7/20 0.38
CYP2D6 P10635 5/20 0.38
CYP1A2 P05177 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TSHR P16473 4/20 0.37
ALOX15 P16050 1/20 0.37
SLC13A5 Q86YT5 7/20 0.33
HIF1A Q16665 3/20 0.33
CYP3A4 P08684 2/20 0.33
NFKB1 P19838 2/20 0.33
PMP22 Q01453 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
TP53 P04637 2/20 0.33
CYP2C9 P11712 2/20 0.33
MAPK1 P28482 2/20 0.33
CYP2C19 P33261 2/20 0.33

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
SCHEMBL426446 0.92 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTLMNACYP2D6
SCHEMBL28489420 0.85 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTLMNACYP2D6
SCHEMBL6386906 0.84 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTLMNACYP2D6
SCHEMBL28654759 0.82 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTLMNACYP2D6
SCHEMBL424422 0.82 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTLMNACYP2D6
SCHEMBL1548243 0.82 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTLMNACYP2D6
SCHEMBL72953 0.82 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTLMNACYP2D6
Citric Acid SCHEMBL4292973 0.82 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTLMNACYP2D6
SCHEMBL30384961 0.82 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTLMNACYP2D6
SCHEMBL433131 0.80 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTLMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120020906-A1 ANTIPERSPIRANT SPRAYS WITH ESTER OILS HENKEL AG & CO. KGAA (DE) 2012-01-26 US claimed
US-20260144726-A1 POLYOL-FREE COSMETIC COMPOSITION COMPRISING ALPHA HYDROXY ACID ESTER L'OREAL (FR) 2026-05-28 US disclosed
US-20170157025-A1 TEXTILE FRIENDLY ANTIPERSPIRANT COMPOSITIONS HENKEL AG & CO. KGAA (DE) 2017-06-08 US disclosed
US-8828367-B2 Water-free antiperspirant non-aerosols in which active substances are more readily released HENKEL AG & CO. KGAA (DE) 2014-09-09 US disclosed
US-8603445-B2 Water-free antiperspirant sprays in which active substances are more readily released HENKEL AG & CO. KGAA (DE) 2013-12-10 US disclosed
US-20120177589-A1 WATER-FREE ANTIPERSPIRANT NON-AEROSOLS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED HENKEL AG & CO. KGAA (DE) 2012-07-12 US disclosed
US-20120171143-A1 WATER-FREE ANTIPERSPIRANT SPRAYS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED HENKEL AG & CO. KGAA (DE) 2012-07-05 US disclosed
US-20120020906-A1 ANTIPERSPIRANT SPRAYS WITH ESTER OILS HENKEL AG & CO. KGAA (DE) 2012-01-26 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 (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-20120020906-A1 ANTIPERSPIRANT SPRAYS WITH ESTER OILS CUTA, NAPEPLD, LIPE ALDH1A1 1032/4885KDM4E 2642/4885MAPT 169/4885
US-20120177589-A1 WATER-FREE ANTIPERSPIRANT NON-AEROSOLS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED SIGMAR1, POLR1C, CUTA ALDH1A1 2601/4885KDM4E 3572/4885MAPT 145/4885
US-20260144726-A1 POLYOL-FREE COSMETIC COMPOSITION COMPRISING ALPHA HYDROXY ACID ESTER HAO2, HADH, LDHA ALDH1A1 202/4885KDM4E 2500/4885MAPT 2477/4885
US-20120171143-A1 WATER-FREE ANTIPERSPIRANT SPRAYS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED POLR1C, CUTA, PHOSPHO1 ALDH1A1 1827/4885KDM4E 3267/4885MAPT 196/4885

“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.