SCHEMBL168609

SCHEMBL168609

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOS P01100 1/20 0.63
TTR P02766 1/20 0.63
JUN P05412 1/20 0.63
NR3C1 P04150 1/20 0.63
HSD17B1 P14061 1/20 0.63
HSD17B2 P37059 1/20 0.63
ALOX15 P16050 3/20 0.58
ALOX12 P18054 3/20 0.58
CYP3A4 P08684 2/20 0.56
MMP1 P03956 1/20 0.56
ALDH1A1 P00352 2/20 0.54
GAA P10253 2/20 0.54
TSHR P16473 2/20 0.54
NFKB1 P19838 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
LDHA P00338 1/20 0.54
ALOX5 P09917 2/20 0.50
OR51E2 Q9H255 1/20 0.50
AR P10275 1/20 0.50
PTGS1 P23219 1/20 0.50

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
SCHEMBL934771 0.96 FOS (0.58) FOSTTRJUNNR3C1HSD17B1
SCHEMBL935389 0.94 HSD17B2 (0.56) FOSTTRJUNNR3C1HSD17B1
SCHEMBL934471 0.87 FOS (0.64) FOSTTRJUNNR3C1HSD17B1
SCHEMBL20162271 0.86 FOS (0.46) FOSTTRJUNNR3C1HSD17B1
SCHEMBL933400 0.84 FOS (0.61) FOSTTRJUNNR3C1HSD17B1
SCHEMBL490769 0.84 HSD17B2 (0.60) FOSTTRJUNNR3C1HSD17B1
SCHEMBL20162275 0.84 FOS (0.43) FOSTTRJUNNR3C1HSD17B1
SCHEMBL20162267 0.84 LDHA (0.46) FOSTTRJUNNR3C1HSD17B1
SCHEMBL491190 0.83 LDHA (0.76) FOSTTRJUNNR3C1HSD17B1
SCHEMBL934658 0.82 FOS (0.58) FOSTTRJUNNR3C1HSD17B1

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 39 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
WO-2011006566-A2 MONOMETHOXY-HYDROXY-BENZYLMALONATES MERCK PATENT GMBH (DE) 2011-01-20 WO claimed
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
EP-2931714-A1 SUBSTITUTED QUINONES OR ANALOGUES AS COLOURING AGENTS Merck Patent GmbH (DE) 2015-10-21 EP 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 (4 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 FOS 3894/4885TTR 301/4885JUN 3501/4885
US-20180207080-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS LPO, CAT, GPX4 FOS 43/4885TTR 682/4885JUN 756/4885
US-20130059924-A1 PHOTOSTABILISERS ALDH1A1, ALDH18A1, ALDH1A2 FOS 1418/4885TTR 498/4885JUN 2929/4885
US-20130058879-A1 TRIAZINES AS REACTION ACCELERATORS TYR, NAT1, TERT FOS 3952/4885TTR 428/4885JUN 1344/4885

“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.