SCHEMBL6159265

SCHEMBL6159265

C/C=C/[CH]c1cccc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.57
FBP1 P09467 2/20 0.56
VCP P55072 1/20 0.56
CYP19A1 P11511 1/20 0.56
GLO1 Q04760 1/20 0.54
TSHR P16473 2/20 0.53
LMNA P02545 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ACHE P22303 1/20 0.50
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
METAP1 P53582 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
AMY1A P0DUB6 1/20 0.47
HTT P42858 1/20 0.47
MAOB P27338 1/20 0.47

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
SCHEMBL8882154 0.82 NFE2L2 (0.71) NFE2L2FBP1VCPCYP19A1GLO1
SCHEMBL10604120 0.82 NFE2L2 (0.71) NFE2L2FBP1VCPCYP19A1GLO1
SCHEMBL453450 0.82 NFE2L2 (0.65) NFE2L2FBP1VCPCYP19A1GLO1
SCHEMBL27727289 0.80 NFE2L2 (0.62) NFE2L2FBP1VCPCYP19A1GLO1
Formaldehyde SCHEMBL28045420 0.79 NFE2L2 (0.67) NFE2L2FBP1VCPCYP19A1GLO1
Dinitrophenylene SCHEMBL28309238 0.79 TSHR (0.63) NFE2L2FBP1VCPCYP19A1GLO1
SCHEMBL15498134 0.77 NFE2L2 (0.89) NFE2L2FBP1VCPCYP19A1GLO1
SCHEMBL14880346 0.77 NFE2L2 (0.69) NFE2L2FBP1VCPCYP19A1GLO1
3-Nitrobenzaldehyde SCHEMBL29573715 0.76 NFE2L2 (0.67) NFE2L2FBP1VCPCYP19A1GLO1
3-Nitrobenzaldehyde SCHEMBL54487 0.76 NFE2L2 (0.67) NFE2L2FBP1VCPCYP19A1GLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1505156-B1 Process for the enantioselective preparation of secondary alcohols by lipase catalysed solvolysis of the corresponding acetoacetic acid ester CONSORTIUM ELEKTROCHEM IND (DE) 2005-12-07 EP disclosed
US-20050032182-A1 Process for the enantioselective preparation of secondary alcohols by lipase-catalyzed solvolysis of the corresponding acetoacetic esters CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH 2005-02-10 US disclosed
EP-1505156-A1 Process for the enantioselective preparation of secondary alcohols by lipase catalysed solvolysis of the corresponding acetoacetic acid ester Consortium für elektrochemische Industrie GmbH (DE) 2005-02-09 EP 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 (1 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-20050032182-A1 Process for the enantioselective preparation of secondary alcohols by lipase-catalyzed solvolysis of the corresponding acetoacetic esters LIPC, LIPE, LIPA NFE2L2 3736/4885FBP1 1242/4885VCP 1216/4885

“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.