SCHEMBL13639030

SCHEMBL13639030

CCOCC(C)(C)C/C=C/c1cccc(C(C)(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
SOD1 P00441 1/20 0.32
EPOR P19235 1/20 0.31
ACHE P22303 2/20 0.31
CYP26B1 Q9NR63 2/20 0.31
CYP26A1 O43174 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HMGCR P04035 1/20 0.31
HDAC4 P56524 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL13636278 0.82 EPOR (0.33) NFE2L2TRPV1EPORACHECYP26B1
SCHEMBL13639106 0.79 CHRNB2 (0.35) NFE2L2TRPV1CHRNB2CHRNB4CHRNA3
SCHEMBL16167476 0.77 NFE2L2 (0.41) NFE2L2TRPV1CHRNB2CHRNB4CHRNA3
SCHEMBL16167471 0.77 NFE2L2 (0.41) NFE2L2TRPV1CHRNB2CHRNB4CHRNA3
SCHEMBL13639036 0.77 CHRNB2 (0.34) NFE2L2TRPV1CHRNB2CHRNB4CHRNA3
SCHEMBL13639097 0.76 CHRNB2 (0.33) NFE2L2TRPV1CHRNB2CHRNB4CHRNA3
SCHEMBL5871109 0.70 NFE2L2 (0.36) NFE2L2TRPV1CHRNB2CHRNB4CHRNA3
SCHEMBL8000869 0.70 RELA (0.46) ACHE
SCHEMBL13636281 0.69 TRPV1 (0.33) NFE2L2TRPV1EPORCYP26B1CYP26A1
SCHEMBL13845922 0.69 APP (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304385-B2 Macrocyclic tetrazolyl hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-11-06 US disclosed
US-20090142299-A1 MACROCYCLIC TETRAZOLYL HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-06-04 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 (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-20090142299-A1 MACROCYCLIC TETRAZOLYL HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS4, PRSS1, SPINT2 NFE2L2 1970/4885TRPV1 2679/4885CHRNB2 4884/4885

“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.