SCHEMBL429385

SCHEMBL429385

CCCC(COC(=O)CC(O)(CC(=O)O)C(=O)O)OC(=O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.38
PRKCA P17252 1/20 0.35
PRKCE Q02156 1/20 0.35
PRKCQ Q04759 1/20 0.35
PRKCD Q05655 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HSPD1 P10809 1/20 0.33
BLM P54132 1/20 0.33
HSPE1 P61604 1/20 0.33
LPAR3 Q9UBY5 5/20 0.32
LPAR1 Q92633 3/20 0.32
ENPP2 Q13822 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TLR2 O60603 2/20 0.32
LPAR2 Q9HBW0 2/20 0.32

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
SCHEMBL424041 0.92 ALDH1A1 (0.42) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL427083 0.91 ALDH1A1 (0.44) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL429398 0.89 ALDH1A1 (0.47) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL423239 0.88 ALDH1A1 (0.46) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL426348 0.88 ALDH1A1 (0.52) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL10006596 0.87 ALDH1A1 (0.42) ALDH1A1LMNAKDM4EMAPTALOX15
SCHEMBL424008 0.85 ALDH1A1 (0.40) ALDH1A1LMNAKDM4EMAPTALOX15
Ethylene Glycol SCHEMBL423238 0.84 ALDH1A1 (0.42) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL28661515 0.84 ALDH1A1 (0.44) ALDH1A1LMNAKDM4EMAPTALOX15
SCHEMBL424024 0.84 ALDH1A1 (0.39) ALDH1A1LMNAKDM4EMAPTALOX15

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 7 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-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 (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-20120020906-A1 ANTIPERSPIRANT SPRAYS WITH ESTER OILS CUTA, NAPEPLD, LIPE ALDH1A1 1032/4885LMNA 3398/4885PRKCA 1624/4885
US-20120177589-A1 WATER-FREE ANTIPERSPIRANT NON-AEROSOLS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED SIGMAR1, POLR1C, CUTA ALDH1A1 2601/4885LMNA 3148/4885PRKCA 3518/4885
US-20120171143-A1 WATER-FREE ANTIPERSPIRANT SPRAYS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED POLR1C, CUTA, PHOSPHO1 ALDH1A1 1827/4885LMNA 2595/4885PRKCA 3016/4885

“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.