SCHEMBL168150

SCHEMBL168150

COc1cc(C=C(C(=O)OC(C)C)C(=O)OC(C)C)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.67
GLO1 Q04760 5/20 0.60
ABL1 P00519 1/20 0.60
IKBKB O14920 1/20 0.56
CHUK O15111 1/20 0.56
IKBKG Q9Y6K9 1/20 0.56
ALDH1A1 P00352 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
HPGD P15428 2/20 0.54
TRIM24 O15164 1/20 0.54
ALDH5A1 P51649 1/20 0.54
ABAT P80404 1/20 0.54
TRIM33 Q9UPN9 1/20 0.54
SNCA P37840 4/20 0.53
CYP2D6 P10635 3/20 0.52
CYP1A2 P05177 2/20 0.52
ALOX5 P09917 2/20 0.52
NFKB1 P19838 2/20 0.52
HSD11B1 P28845 2/20 0.52
STAT3 P40763 2/20 0.52

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
SCHEMBL29601206 1.00 MAPT (0.67) MAPTGLO1ABL1IKBKBCHUK
SCHEMBL2208983 0.93 MAPT (0.74) MAPTGLO1ABL1IKBKBCHUK
SCHEMBL935705 0.85 MAPT (0.74) MAPTGLO1ABL1IKBKBCHUK
SCHEMBL20162268 0.85 ALDH1A1 (0.57) MAPTGLO1ABL1ALDH1A1HPGD
SCHEMBL2903666 0.84 PTP4A3 (0.57) MAPTGLO1ABL1ALDH1A1TDP1
SCHEMBL27587573 0.83 ALDH1A1 (0.70) MAPTALDH1A1CYP1A2EGFRCA12
SCHEMBL20162254 0.83 MAPT (0.46) MAPTGLO1ABL1IKBKBCHUK
SCHEMBL16307895 0.82 MAPT (0.74) MAPTGLO1ABL1IKBKBCHUK
SCHEMBL7793570 0.82 MAPT (0.51) MAPTGLO1ABL1IKBKBCHUK
SCHEMBL8331758 0.81 HPGD (0.49) MAPTALDH1A1TDP1HPGDKDM4E

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180207080-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS MERCK PATENT GMBH (DE) 2018-07-26 US claimed
EP-3322400-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS Merck Patent GmbH (DE) 2018-05-23 EP claimed
WO-2017008877-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS MERCK PATENT GMBH (DE) 2017-01-19 WO claimed
EP-1952843-B1 Photostable organic sunscreen compounds with antioxidant properties and compositions obtained therefrom MERCK PATENT GMBH (DE) 2011-07-27 EP claimed
US-20210161783-A1 USE OF SPECIFIC BENZYLIDENE MALONATES FOR PROTECTING THE SKIN FROM CHEMICALLY INDUCED STRESS MERCK PATENT GMBH (DE) 2021-06-03 US disclosed
US-20180207080-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS MERCK PATENT GMBH (DE) 2018-07-26 US disclosed
EP-3322400-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS Merck Patent GmbH (DE) 2018-05-23 EP disclosed
WO-2017008877-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS MERCK PATENT GMBH (DE) 2017-01-19 WO disclosed
EP-2931714-B1 SUBSTITUTED QUINONES OR ANALOGUES AS COLOURING AGENTS MERCK PATENT GMBH (DE) 2016-12-21 EP disclosed
US-9458142-B2 Substituted quinones or analogues as colouring agents MERCK PATENT GMBH (DE) 2016-10-04 US disclosed
WO-2016142026-A1 FLUORINE SURFACTANTS IN EMULSIONS MERCK PATENT GMBH (DE) 2016-09-15 WO disclosed
US-20150315177-A1 SUBSTITUTED QUINONES OR ANALOGUES AS COLOURING AGENTS MERCK PATENT GMBH (DE) 2015-11-05 US disclosed
US-20130059924-A1 PHOTOSTABILISERS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-03-07 US disclosed
US-20130058879-A1 TRIAZINES AS REACTION ACCELERATORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-03-07 US disclosed
WO-2012107158-A1 1,3-DIOXAN-5-ONE COMPOUNDS MERCK PATENT GMBH (DE) 2012-08-16 WO disclosed
WO-2012065685-A1 ASCORBIC ACID DERIVATIVES AS OXIDATION DYE COMPONENTS MERCK PATENT GMBH (DE) 2012-05-24 WO disclosed
WO-2012028245-A1 DYE-ASCORBIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-08 WO disclosed
WO-2011141111-A2 TRIAZINES AS REACTION ACCELERATORS MERCK PATENT GMBH (DE) 2011-11-17 WO disclosed
WO-2011141110-A2 PHOTO-STABILIZING AGENTS MERCK PATENT GMBH (DE) 2011-11-17 WO disclosed
WO-2011006566-A2 MONOMETHOXY-HYDROXY-BENZYLMALONATES MERCK PATENT GMBH (DE) 2011-01-20 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 (5 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-20150315177-A1 SUBSTITUTED QUINONES OR ANALOGUES AS COLOURING AGENTS KRT18, IK, SDHA MAPT 411/4885GLO1 825/4885ABL1 928/4885
US-20180207080-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS LPO, CAT, GPX4 MAPT 1864/4885GLO1 255/4885ABL1 4102/4885
US-20130059924-A1 PHOTOSTABILISERS ALDH1A1, ALDH18A1, ALDH1A2 MAPT 362/4885GLO1 221/4885ABL1 2185/4885
US-20130058879-A1 TRIAZINES AS REACTION ACCELERATORS TYR, NAT1, TERT MAPT 3734/4885GLO1 2921/4885ABL1 421/4885
US-20210161783-A1 USE OF SPECIFIC BENZYLIDENE MALONATES FOR PROTECTING THE SKIN FROM CHEMICALLY INDUCED STRESS MAL2, GAA, ME2 MAPT 2297/4885GLO1 512/4885ABL1 3701/4885

“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.