SCHEMBL2220992

SCHEMBL2220992

COC(C)OC.O=Cc1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.45
RELA Q04206 1/20 0.45
LMNA P02545 2/20 0.43
MAOB P27338 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TSHR P16473 1/20 0.41
ERN1 O75460 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39

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
Isopropyl Alcohol SCHEMBL29109553 0.82 ALDH1A1 (0.50) NFE2L2RELALMNAMAOBTDP1
Ethane SCHEMBL2154274 0.82 TDP1 (0.57) NFE2L2RELALMNAMAOBTDP1
SCHEMBL97422 0.82
SCHEMBL29815450 0.82
SCHEMBL1509673 0.82 TDP1 (0.63) NFE2L2RELALMNATDP1MEN1
SCHEMBL6918730 0.81 LMNA (0.40) NFE2L2RELALMNAMAOBTDP1
Methyl Alcohol SCHEMBL28778721 0.80 TDP1 (0.55) NFE2L2RELALMNAMAOBTDP1
Hydrochloric Acid SCHEMBL10816378 0.80 TDP1 (0.60) NFE2L2RELALMNATDP1MEN1
SCHEMBL29684596 0.80 TDP1 (0.60) NFE2L2RELALMNATDP1MEN1
SCHEMBL29924187 0.80 TDP1 (0.60) NFE2L2RELALMNATDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9260406-B2 Substituted 1,3-dioxanes useful as PPAR modulators EVOLVA SA (CH) 2016-02-16 US disclosed
EP-1976509-B1 PPAR MODULATORS EVOLVA SA (CH) 2014-12-17 EP disclosed
CN-101657099-B Substituted 1,3-dioxanes useful as PPAR modulators EVOLVA SA 2014-11-26 CN disclosed
US-20140288110-A1 PPAR MODULATORS EVOLVA SA (CH) 2014-09-25 US disclosed
US-20130267561-A1 Substituted 1,3-Dioxanes Useful as PPAR Modulators EVOLVA SA (CH) 2013-10-10 US disclosed
US-8536196-B2 Substituted 1,3-dioxanes useful as PPAR modulators EVOLVA SA (CH) 2013-09-17 US disclosed
EP-2363127-A1 PPAR Modulators Evolva SA (CH) 2011-09-07 EP disclosed
US-20110178112-A1 PPAR Modulators EVOLVA SA (CH) 2011-07-21 US disclosed
US-20100168169-A1 SUBSTITUTED 1,3-DIOXANES USEFUL AS PPAR MODULATORS EVOLVA SA (CH) 2010-07-01 US disclosed
CN-101657099-A As 1 of the replacement of PPAR conditioning agent, 3-dioxane EVOLVA SA CH 2010-02-24 CN disclosed
EP-2150111-A1 SUBSTITUTED 1,3-DIOXANES USEFUL AS PPAR MODULATORS Evolva SA (CH) 2010-02-10 EP disclosed
EP-1976509-A2 PPAR MODULATORS Evolva SA (CH) 2008-10-08 EP disclosed
WO-2008089461-A1 SUBSTITUTED 1,3-DIOXANES USEFUL AS PPAR MODULATORS EVOLVA SA (CH) 2008-07-24 WO disclosed
WO-2007138485-A2 PPAR MODULATORS EVOLVA SA (US) 2007-12-06 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-20110178112-A1 PPAR Modulators PPARD, PPARG, PPARA NFE2L2 495/4885RELA 1000/4885LMNA 3708/4885
US-20140288110-A1 PPAR MODULATORS PPARD, PPARG, PPARA NFE2L2 495/4885RELA 1000/4885LMNA 3708/4885
US-20100168169-A1 SUBSTITUTED 1,3-DIOXANES USEFUL AS PPAR MODULATORS PPARD, PPARG, PPARA NFE2L2 501/4885RELA 725/4885LMNA 2910/4885
US-20130267561-A1 Substituted 1,3-Dioxanes Useful as PPAR Modulators PPARD, PPARG, PPARA NFE2L2 501/4885RELA 725/4885LMNA 2910/4885

“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.