SCHEMBL428221

SCHEMBL428221

CCC(CCCCOC(=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 3/20 0.40
KDM4E B2RXH2 6/20 0.37
LMNA P02545 5/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
CYP1A2 P05177 3/20 0.34
CYP2D6 P10635 3/20 0.34
BLM P54132 2/20 0.33
HSPD1 P10809 1/20 0.33
HSPE1 P61604 1/20 0.33
MAPT P10636 3/20 0.33
NAAA Q02083 1/20 0.31
TSHR P16473 2/20 0.31
HSD17B10 Q99714 2/20 0.31
ALOX15 P16050 1/20 0.31
PRKCA P17252 1/20 0.31
PRKCD Q05655 1/20 0.31
HPGD P15428 1/20 0.31
RECQL P46063 1/20 0.31
TP53 P04637 2/20 0.31

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
SCHEMBL427081 0.99 ALDH1A1 (0.39) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL426266 0.96 ALDH1A1 (0.41) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL424024 0.91 ALDH1A1 (0.39) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL426344 0.91 ALDH1A1 (0.43) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL425248 0.88 ALDH1A1 (0.41) ALDH1A1KDM4ELMNA
SCHEMBL722608 0.88 BLM (0.44) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL426272 0.87 ALDH1A1 (0.40) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL424008 0.87 ALDH1A1 (0.40) ALDH1A1KDM4ELMNAMEN1KMT2A
Ammonia Solution, Strong SCHEMBL7681727 0.86 BLM (0.43) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL426146 0.86 BLM (0.41) ALDH1A1KDM4ELMNAMEN1KMT2A

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 1032/4885KDM4E 2642/4885LMNA 3398/4885
US-20120177589-A1 WATER-FREE ANTIPERSPIRANT NON-AEROSOLS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED SIGMAR1, POLR1C, CUTA ALDH1A1 2601/4885KDM4E 3572/4885LMNA 3148/4885
US-20120171143-A1 WATER-FREE ANTIPERSPIRANT SPRAYS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED POLR1C, CUTA, PHOSPHO1 ALDH1A1 1827/4885KDM4E 3267/4885LMNA 2595/4885

“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.