SCHEMBL9106681

SCHEMBL9106681

COc1ccc(C=C(C(C)=O)C(C)=O)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 1.00
TDP1 Q9NUW8 1/20 1.00
MAPT P10636 1/20 0.76
IKBKB O14920 2/20 0.58
CHUK O15111 2/20 0.58
IKBKG Q9Y6K9 2/20 0.58
GLO1 Q04760 2/20 0.58
CYP1A2 P05177 1/20 0.56
ALDH1A1 P00352 3/20 0.56
TSHR P16473 1/20 0.56
KDM4E B2RXH2 2/20 0.56
HPGD P15428 1/20 0.56
ALOX15 P16050 1/20 0.56
MAPK1 P28482 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HSD17B10 Q99714 1/20 0.56
PTGS1 P23219 1/20 0.55
PTGS2 P35354 1/20 0.55
NQO2 P16083 1/20 0.55
NFE2L2 Q16236 1/20 0.54

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
SCHEMBL9473791 0.92 GAA (0.84) GAATDP1MAPTIKBKBCHUK
SCHEMBL9473794 0.92 GAA (0.84) GAATDP1MAPTIKBKBCHUK
SCHEMBL9472865 0.90 GAA (0.82) GAATDP1MAPTIKBKBCHUK
SCHEMBL9472861 0.90 GAA (0.82) GAATDP1MAPTIKBKBCHUK
SCHEMBL28552784 0.86 MAPT (0.77) GAATDP1MAPTIKBKBCHUK
SCHEMBL7523992 0.86 MAPT (1.00) GAATDP1MAPTIKBKBCHUK
SCHEMBL7813366 0.86 GAA (0.75) GAATDP1MAPTIKBKBCHUK
SCHEMBL7813363 0.86 GAA (0.75) GAATDP1MAPTIKBKBCHUK
SCHEMBL2225902 0.86 GAA (0.75) GAATDP1MAPTIKBKBCHUK
SCHEMBL10375547 0.85 GAA (0.73) GAATDP1MAPTIKBKBCHUK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649033-B1 COMPOSITIONS AND METHODS FOR STABILIZING INGREDIENTS USING 2,4-PENTANEDIONE COMPOUNDS SYTHEON LTD (US) 2018-10-17 EP disclosed
US-9908893-B2 Thieno [2,3-b] pyridines as multidrug resistance modulators LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) 2018-03-06 US disclosed
US-20160137664-A1 THIENO [2,3-b] PYRIDINES AS MULTIDRUG RESISTANCE MODULATORS LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) 2016-05-19 US disclosed
EP-3008073-A1 THIENO[2,3-b]PYRIDINES AS MULTIDRUG RESISTANCE MODULATORS LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) 2016-04-20 EP disclosed
US-20150182431-A1 Compositions and Methods for Treatment of Hair with Reduced Hair Damage SYTHEON LTD (US) 2015-07-02 US disclosed
WO-2014199195-A1 THIENO[2,3-b]PYRIDINES AS MULTIDRUG RESISTANCE MODULATORS LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) 2014-12-18 WO disclosed
US-8617528-B2 Compositions and methods for stabilizing ingredients using 2,4-pentanedione compounds SYTHEON LTD. (US) 2013-12-31 US disclosed
EP-2649033-A2 COMPOSITIONS AND METHODS FOR STABILIZING INGREDIENTS USING 2,4-PENTANEDIONE COMPOUNDS Sytheon Ltd. (US) 2013-10-16 EP disclosed
WO-2012078546-A2 COMPOSITIONS AND METHODS FOR STABILIZING INGREDIENTS USING 2,4-PENTANEDIONE COMPOUNDS SYTHEON LTD. (US) 2012-06-14 WO disclosed
US-20120141395-A1 COMPOSITIONS AND METHODS FOR STABILIZING INGREDIENTS USING 2,4-PENTANEDIONE COMPOUNDS SYTHEON LIMITED (US) 2012-06-07 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 (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-20160137664-A1 THIENO [2,3-b] PYRIDINES AS MULTIDRUG RESISTANCE MODULATORS ABCC1, ABCB1, MT-CO1 GAA 4793/4885TDP1 3563/4885MAPT 4273/4885
US-20120141395-A1 COMPOSITIONS AND METHODS FOR STABILIZING INGREDIENTS USING 2,4-PENTANEDIONE COMPOUNDS HPD, GPX4, RBP4 GAA 3228/4885TDP1 3450/4885MAPT 385/4885
US-20150182431-A1 Compositions and Methods for Treatment of Hair with Reduced Hair Damage GPX4, COX5A, COX5B GAA 4505/4885TDP1 2383/4885MAPT 1958/4885

“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.