SCHEMBL423298

SCHEMBL423298

CCC(CCC(C)OC(=O)CC(O)(CC(=O)O)C(=O)O)COC(=O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TSHR P16473 3/20 0.38
CYP3A4 P08684 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
RECQL P46063 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
SCHEMBL536457 0.87 ALDH1A1 (0.41) ALDH1A1TSHRCYP3A4ATMTDP1
SCHEMBL28488194 0.85 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4ATMTDP1
SCHEMBL428393 0.83 ALDH1A1 (0.48) ALDH1A1TSHRMAPTKDM4ELMNA
SCHEMBL1857521 0.83 CYP3A4 (0.57) ALDH1A1TSHRCYP3A4ATMTDP1
SCHEMBL425327 0.81 ALDH1A1 (0.46) ALDH1A1TSHRCYP3A4TDP1MAPT
SCHEMBL4339036 0.81 ALDH1A1 (0.48) ALDH1A1TSHRMAPTKDM4ELMNA
SCHEMBL536599 0.81 TSHR (0.44) ALDH1A1TSHRCYP3A4ATMTDP1
SCHEMBL427079 0.81 TSHR (0.44) ALDH1A1TSHRCYP3A4ATMTDP1
SCHEMBL537042 0.81 ALDH1A1 (0.40) ALDH1A1TSHRCYP3A4ATMTDP1
Oxalic Acid SCHEMBL29914252 0.81 CYP3A4 (0.55) ALDH1A1TSHRCYP3A4ATMTDP1

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
EP-2413890-A2 ANTIPERSPIRANT SPRAYS WITH ESTER OILS Henkel AG & Co. KGaA (DE) 2012-02-08 EP claimed
US-20120020906-A1 ANTIPERSPIRANT SPRAYS WITH ESTER OILS HENKEL AG & CO. KGAA (DE) 2012-01-26 US claimed
WO-2010112459-A2 ANTIPERSPIRANT SPRAYS WITH ESTER OILS HENKEL AG & CO. KGAA (DE) 2010-10-07 WO claimed
US-20170157025-A1 TEXTILE FRIENDLY ANTIPERSPIRANT COMPOSITIONS HENKEL AG & CO. KGAA (DE) 2017-06-08 US disclosed
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
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
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-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
EP-2413890-A2 ANTIPERSPIRANT SPRAYS WITH ESTER OILS Henkel AG & Co. KGaA (DE) 2012-02-08 EP disclosed
US-20120020906-A1 ANTIPERSPIRANT SPRAYS WITH ESTER OILS HENKEL AG & CO. KGAA (DE) 2012-01-26 US disclosed
WO-2010112459-A2 ANTIPERSPIRANT SPRAYS WITH ESTER OILS HENKEL AG & CO. KGAA (DE) 2010-10-07 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 1032/4885TSHR 1473/4885CYP3A4 1348/4885
US-20120177589-A1 WATER-FREE ANTIPERSPIRANT NON-AEROSOLS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED SIGMAR1, POLR1C, CUTA ALDH1A1 2601/4885TSHR 1854/4885CYP3A4 1532/4885
US-20120171143-A1 WATER-FREE ANTIPERSPIRANT SPRAYS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED POLR1C, CUTA, PHOSPHO1 ALDH1A1 1827/4885TSHR 1330/4885CYP3A4 1573/4885

“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.