SCHEMBL15512286

SCHEMBL15512286

O=C(O)CC(O)(CC(=O)OCC(O)CCCCO)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
ACLY P53396 15/20 0.38
KDM4E B2RXH2 1/20 0.34
DUSP3 P51452 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL23446190 0.86 MEN1 (0.48) ALDH1A1KDM4EDUSP3MEN1KMT2A
SCHEMBL168114 0.85 ALDH1A1 (0.52) ALDH1A1ACLYKDM4EDUSP3MEN1
Citric Acid SCHEMBL8626231 0.85 ALDH1A1 (0.52) ALDH1A1ACLYKDM4EDUSP3MEN1
SCHEMBL431247 0.83 ALDH1A1 (0.41) ALDH1A1ACLYLMNA
SCHEMBL17183043 0.83 ALDH1A1 (0.50) ALDH1A1ACLYKDM4EDUSP3MEN1
SCHEMBL3984927 0.83 ALDH1A1 (0.50) ALDH1A1ACLYKDM4EDUSP3MEN1
SCHEMBL23724033 0.83 ALDH1A1 (0.50) ALDH1A1ACLYKDM4EDUSP3MEN1
Water SCHEMBL13269323 0.83 ALDH1A1 (0.50) ALDH1A1ACLYKDM4EDUSP3MEN1
Citric Acid SCHEMBL431248 0.83 ALDH1A1 (0.54) ALDH1A1ACLY
Citric Acid SCHEMBL425249 0.83 ALDH1A1 (0.54) ALDH1A1ACLY

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2705879-B1 COMBINATION OF OILS FOR ANTIPERSPIRANT COMPOSITIONS WITH IMPROVED WHITE MARK PROTECTION HENKEL AG & CO KGAA (DE) 2017-06-07 EP disclosed
EP-2480192-B1 NON-AEROSOL WATER-FREE ANTIPERSPIRANT IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED HENKEL AG & CO KGAA (DE) 2016-01-13 EP disclosed
EP-2480193-B1 NON-AEROSOL WATER-FREE ANTIPERSPIRANT IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED HENKEL AG & CO KGAA (DE) 2015-08-19 EP disclosed
EP-2705879-A1 COMBINATION OF OILS FOR ANTIPERSPIRANT COMPOSITIONS WITH IMPROVED WHITE MARK PROTECTION Henkel AG&Co. KGAA (DE) 2014-03-12 EP disclosed
US-20080293647-A1 Combined Use Of Vitamin D Derivatives And Anti-Proliferative Agents For Treating Bladder Cancer BIOXELL S.P.A. (IT) 2008-11-27 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 (1 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-20080293647-A1 Combined Use Of Vitamin D Derivatives And Anti-Proliferative Agents For Treating Bladder Cancer VDR, CYP24A1, CYP27B1 ALDH1A1 683/4885ACLY 2537/4885KDM4E 2216/4885

“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.