SCHEMBL426934

SCHEMBL426934

O=C(O)CC(O)(CC(=O)OCCOC(=O)CC(O)(CC(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
SLC13A5 Q86YT5 8/20 0.39
KDM4E B2RXH2 6/20 0.38
LMNA P02545 5/20 0.37
CYP2D6 P10635 4/20 0.37
CYP1A2 P05177 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 4/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
HMGCR P04035 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
ADRA1A P35348 1/20 0.36
HIF1A Q16665 3/20 0.35
CYP3A4 P08684 2/20 0.35
NFKB1 P19838 2/20 0.35
CYP2C19 P33261 2/20 0.35
PMP22 Q01453 2/20 0.35

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
Ethylene SCHEMBL10931218 0.96 ALDH1A1 (0.60) ALDH1A1SLC13A5KDM4ELMNACYP2D6
SCHEMBL11302169 0.94 ALDH1A1 (0.58) ALDH1A1SLC13A5KDM4ELMNACYP2D6
SCHEMBL10931226 0.94 ALDH1A1 (0.58) ALDH1A1SLC13A5KDM4ELMNACYP2D6
SCHEMBL426065 0.92 ALDH1A1 (0.60) ALDH1A1SLC13A5KDM4ELMNACYP2D6
SCHEMBL426260 0.92 ALDH1A1 (0.60) ALDH1A1SLC13A5KDM4ELMNACYP2D6
SCHEMBL5570780 0.91 ALDH1A1 (0.54) ALDH1A1SLC13A5KDM4ELMNACYP2D6
SCHEMBL429702 0.90 ALDH1A1 (0.58) ALDH1A1SLC13A5KDM4ELMNACYP2D6
SCHEMBL427467 0.90 ALDH1A1 (0.58) ALDH1A1SLC13A5KDM4ELMNACYP2D6
SCHEMBL265213 0.90 ALDH1A1 (0.58) ALDH1A1SLC13A5KDM4ELMNACYP2D6
SCHEMBL427795 0.90 ALDH1A1 (0.58) ALDH1A1SLC13A5KDM4ELMNACYP2D6

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 15 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
CN-112430186-A Hydroxycarboxylic acid esters, process for their preparation and their use 韦尔化学性能产品有限公司 2021-03-02 CN 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
EP-0837903-B1 MELTPROCESSIBLE STARCH COMPOSITION, A PROCESS FOR THE PREPARATION THEREOF AND THE USE OF THE COMPOSITION VALTION TEKNILLINEN (FI) 2004-12-22 EP disclosed
EP-0837902-B1 THERMOPLASTICIZED STARCH COMPONENT AND PROCESS FOR THE PREPARATION THEREOF VALTION TEKNILLINEN (FI) 2004-03-17 EP disclosed
US-6011092-A REACTING MODIFIED STARCH WITH A THERMOPLASTIC COMPONENT CONSISTING OF AN ISOCYANATE-TERMINATED HYDROXYACID POLYMER AND CONTINUING THE REACRUIN UNTIL THE THERMOPLASTIC COMPONENT IS AT LEAST PARTIALLY BOUND TO THE STARCH COMPONENT BY MEANS OF VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2000-01-04 US disclosed
EP-0837902-A1 THERMOPLASTICIZED STARCH COMPONENT AND PROCESS FOR THE PREPARATION THEREOF VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 1998-04-29 EP disclosed
EP-0837903-A1 MELTPROCESSIBLE STARCH COMPOSITION, A PROCESS FOR THE PREPARATION THEREOF AND THE USE OF THE COMPOSITION VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 1998-04-29 EP disclosed
WO-1997003121-A1 MELTPROCESSIBLE STARCH COMPOSITION, A PROCESS FOR THE PREPARATION THEREOF AND THE USE OF THE COMPOSITION VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 1997-01-30 WO disclosed
WO-1997003120-A1 THERMOPLASTICIZED STARCH COMPONENT AND PROCESS FOR THE PREPARATION THEREOF VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 1997-01-30 WO 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 1032/4885SLC13A5 3341/4885KDM4E 2642/4885
US-20120177589-A1 WATER-FREE ANTIPERSPIRANT NON-AEROSOLS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED SIGMAR1, POLR1C, CUTA ALDH1A1 2601/4885SLC13A5 4174/4885KDM4E 3572/4885
US-20120171143-A1 WATER-FREE ANTIPERSPIRANT SPRAYS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED POLR1C, CUTA, PHOSPHO1 ALDH1A1 1827/4885SLC13A5 3856/4885KDM4E 3267/4885

“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.