SCHEMBL12680909

SCHEMBL12680909

Cc1cccc(/C=C/CCCCCOC(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.40
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
ALOX5 P09917 1/20 0.38
FBP1 P09467 1/20 0.37
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
IDO1 P14902 2/20 0.34
MAOA P21397 3/20 0.33
MAOB P27338 3/20 0.33
PPARG P37231 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32

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
SCHEMBL8000066 0.84 RELA (0.46) RELAPTGS1PTGS2ALOX5FBP1
SCHEMBL12678198 0.83 HDAC8 (0.33) TP53TDP1HDAC1HDAC8LTB4R
SCHEMBL7990042 0.82 RELA (0.47) RELAPTGS1PTGS2ALOX5FBP1
SCHEMBL12680895 0.82 CYP4F2 (0.35) PPARGLTB4RLTB4R2
SCHEMBL12678192 0.81 KDM4E (0.33) TP53TDP1HDAC1HDAC8LTB4R
SCHEMBL7998452 0.78 RELA (0.49) RELAPTGS1PTGS2ALOX5FBP1
SCHEMBL8000744 0.78 RELA (0.43) RELAPTGS1PTGS2ALOX5FBP1
SCHEMBL12678194 0.77 HDAC4 (0.34) TP53TDP1HDAC8
SCHEMBL8002544 0.76 RELA (0.44) RELAPTGS1PTGS2ALOX5FBP1
SCHEMBL12680828 0.76 L3MBTL4 (0.38) TDP1NPC1

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-8273709-B2 Triazole-containing macrocyclic HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-09-25 US disclosed
US-20090191151-A1 TRIAZOLE-CONTAINING MACROCYCLIC HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-07-30 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-20090191151-A1 TRIAZOLE-CONTAINING MACROCYCLIC HCV SERINE PROTEASE INHIBITORS TMPRSS4, SPINT2, PRSS1 RELA 1931/4885PTGS1 1264/4885PTGS2 2397/4885

“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.