SCHEMBL426146

SCHEMBL426146

CCCCCC(CCOC(=O)CC(O)(CC(=O)O)C(=O)O)OC(=O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.41
HSPD1 P10809 1/20 0.41
HSPE1 P61604 1/20 0.41
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 3/20 0.37
USP2 O75604 1/20 0.37
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 3/20 0.34
MAPK1 P28482 2/20 0.33
NAAA Q02083 1/20 0.33
GMNN O75496 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NR1H4 Q96RI1 1/20 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
SCHEMBL429913 0.96 ALDH1A1 (0.40) BLMHSPD1HSPE1ALDH1A1MEN1
SCHEMBL426272 0.91 ALDH1A1 (0.40) BLMHSPD1HSPE1ALDH1A1MEN1
SCHEMBL10006596 0.91 ALDH1A1 (0.42) BLMHSPD1HSPE1ALDH1A1MEN1
SCHEMBL4277990 0.91 BLM (0.49) BLMHSPD1HSPE1ALDH1A1MEN1
SCHEMBL5155110 0.91 BLM (0.49) BLMHSPD1HSPE1ALDH1A1MEN1
SCHEMBL93741 0.91 BLM (0.49) BLMHSPD1HSPE1ALDH1A1MEN1
SCHEMBL27559042 0.91 BLM (0.49) BLMHSPD1HSPE1ALDH1A1MEN1
SCHEMBL17541718 0.91 BLM (0.46) BLMHSPD1HSPE1ALDH1A1MEN1
SCHEMBL424024 0.90 ALDH1A1 (0.39) BLMHSPD1HSPE1ALDH1A1MEN1
SCHEMBL6151112 0.89 BLM (0.48) BLMHSPD1HSPE1ALDH1A1MEN1

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 BLM 3969/4885HSPD1 3903/4885HSPE1 3272/4885
US-20120177589-A1 WATER-FREE ANTIPERSPIRANT NON-AEROSOLS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED SIGMAR1, POLR1C, CUTA BLM 3524/4885HSPD1 3852/4885HSPE1 2217/4885
US-20120171143-A1 WATER-FREE ANTIPERSPIRANT SPRAYS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED POLR1C, CUTA, PHOSPHO1 BLM 3881/4885HSPD1 3942/4885HSPE1 2472/4885

“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.