SCHEMBL6158467

SCHEMBL6158467

C=CC[CH]c1ccccc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.48
TRPA1 O75762 1/20 0.48
ACHE P22303 2/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
TFEB P19484 1/20 0.46
CYP1A1 P04798 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP1B1 Q16678 2/20 0.44
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP19A1 P11511 1/20 0.43

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
SCHEMBL1157682 0.81 NFE2L2 (0.53) NFE2L2TRPA1CA12CA1CA2
SCHEMBL27751564 0.79 NFE2L2 (0.52) NFE2L2TRPA1ACHECA12CA1
SCHEMBL29377009 0.79 NFE2L2 (0.55) NFE2L2TRPA1CA12CA1CA2
SCHEMBL14909 0.79 NFE2L2 (0.55) NFE2L2TRPA1CA12CA1CA2
SCHEMBL1759513 0.78 NFE2L2 (0.53) NFE2L2TRPA1CA12CA1CA2
SCHEMBL28020798 0.78 NFE2L2 (0.50) NFE2L2TRPA1CA12CA1CA2
SCHEMBL8879885 0.78 NFE2L2 (0.53) NFE2L2TRPA1ACHECA12CA1
Benzene SCHEMBL28154477 0.77 NFE2L2 (0.59) NFE2L2TRPA1CA12CA1CA2
Hydrogen Sulfide SCHEMBL27500079 0.77 NFE2L2 (0.53) NFE2L2TRPA1ACHECA12CA1
SCHEMBL27542758 0.77 NFE2L2 (0.53) NFE2L2TRPA1CA12CA1CA2

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 3736/4885TRPA1 4736/4885ACHE 202/4885

“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.