SCHEMBL427079

SCHEMBL427079

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
CYP3A4 P08684 3/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 7/20 0.40
RECQL P46063 2/20 0.39
KDM4E B2RXH2 3/20 0.37
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
CA2 P00918 1/20 0.35
HSPD1 P10809 1/20 0.33
BLM P54132 1/20 0.33
HSPE1 P61604 1/20 0.33
MAPK1 P28482 3/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 5/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MMP9 P14780 1/20 0.32

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
SCHEMBL536599 0.90 TSHR (0.44) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL1857521 0.89 CYP3A4 (0.57) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL28984797 0.88 TSHR (0.54) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL28371545 0.88 CYP3A4 (0.56) TSHRCYP3A4ATMTDP1ALDH1A1
Oxalic Acid SCHEMBL29914252 0.87 CYP3A4 (0.55) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL23648289 0.86 TSHR (0.39) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL28488194 0.86 ALDH1A1 (0.50) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL25254689 0.85 HSPD1 (0.43) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL11020854 0.85 CYP3A4 (0.62) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL25250911 0.83 HSPD1 (0.46) ALDH1A1RECQLHSPD1BLMHSPE1

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 19 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
EP-2480192-A1 WATER-FREE ANTIPERSPIRANT SPRAYS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED Henkel AG & Co. KGaA (DE) 2012-08-01 EP disclosed
EP-2480193-A1 WATER-FREE ANTIPERSPIRANT NON-AEROSOLS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED Henkel AG & Co. KGaA (DE) 2012-08-01 EP 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-2011036081-A1 WATER-FREE ANTIPERSPIRANT SPRAYS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED HENKEL AG & CO. KGAA (DE) 2011-03-31 WO disclosed
WO-2011036082-A1 WATER-FREE ANTIPERSPIRANT NON-AEROSOLS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED HENKEL AG & CO. KGAA (DE) 2011-03-31 WO 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 TSHR 1473/4885CYP3A4 1348/4885ATM 2990/4885
US-20120177589-A1 WATER-FREE ANTIPERSPIRANT NON-AEROSOLS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED SIGMAR1, POLR1C, CUTA TSHR 1854/4885CYP3A4 1532/4885ATM 1863/4885
US-20120171143-A1 WATER-FREE ANTIPERSPIRANT SPRAYS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED POLR1C, CUTA, PHOSPHO1 TSHR 1330/4885CYP3A4 1573/4885ATM 2932/4885

“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.