SCHEMBL426272

SCHEMBL426272

CCCCC(CCCOC(=O)CC(O)(CC(=O)O)C(=O)O)OC(=O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
BLM P54132 2/20 0.36
HSPD1 P10809 1/20 0.36
HSPE1 P61604 1/20 0.36
KDM4E B2RXH2 2/20 0.35
NAAA Q02083 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 4/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
GMNN O75496 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPK1 P28482 1/20 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
SCHEMBL429913 0.95 ALDH1A1 (0.40) ALDH1A1BLMHSPD1HSPE1KDM4E
SCHEMBL424008 0.95 ALDH1A1 (0.40) ALDH1A1BLMHSPD1HSPE1KDM4E
SCHEMBL426146 0.91 BLM (0.41) ALDH1A1BLMHSPD1HSPE1KDM4E
SCHEMBL424024 0.91 ALDH1A1 (0.39) ALDH1A1BLMHSPD1HSPE1KDM4E
SCHEMBL426266 0.91 ALDH1A1 (0.41) ALDH1A1BLMHSPD1HSPE1KDM4E
SCHEMBL17541718 0.89 BLM (0.46) ALDH1A1BLMHSPD1HSPE1MEN1
SCHEMBL424041 0.88 ALDH1A1 (0.42) ALDH1A1BLMHSPD1HSPE1LMNA
SCHEMBL6151112 0.88 BLM (0.48) ALDH1A1BLMHSPD1HSPE1MEN1
SCHEMBL428221 0.87 ALDH1A1 (0.40) ALDH1A1BLMHSPD1HSPE1KDM4E
SCHEMBL10006596 0.86 ALDH1A1 (0.42) ALDH1A1BLMHSPD1HSPE1KDM4E

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 1032/4885BLM 3969/4885HSPD1 3903/4885
US-20120177589-A1 WATER-FREE ANTIPERSPIRANT NON-AEROSOLS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED SIGMAR1, POLR1C, CUTA ALDH1A1 2601/4885BLM 3524/4885HSPD1 3852/4885
US-20120171143-A1 WATER-FREE ANTIPERSPIRANT SPRAYS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED POLR1C, CUTA, PHOSPHO1 ALDH1A1 1827/4885BLM 3881/4885HSPD1 3942/4885

“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.