SCHEMBL12680901

SCHEMBL12680901

Cc1cccc(CCCCCCCOC(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.47
NAAA Q02083 1/20 0.43
IDO1 P14902 2/20 0.42
HRH3 Q9Y5N1 1/20 0.41
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
FDPS P14324 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP2D6 P10635 1/20 0.37
DAO P14920 1/20 0.37

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
SCHEMBL12680889 0.84 PPARG (0.42) PPARGPPARAALDH1A1
SCHEMBL8095693 0.82 TAAR1 (0.65) TAAR1NAAAIDO1HRH3FDPS
SCHEMBL8094741 0.82 TAAR1 (0.65) TAAR1NAAAIDO1HRH3FDPS
SCHEMBL8101532 0.82 TAAR1 (0.65) TAAR1NAAAIDO1HRH3FDPS
SCHEMBL8094389 0.82 TAAR1 (0.65) TAAR1NAAAIDO1HRH3FDPS
SCHEMBL8093918 0.82 TAAR1 (0.65) TAAR1NAAAIDO1HRH3FDPS
SCHEMBL8086943 0.82 TAAR1 (0.65) TAAR1NAAAIDO1HRH3FDPS
SCHEMBL8102622 0.82 TAAR1 (0.65) TAAR1NAAAIDO1HRH3FDPS
SCHEMBL8092438 0.82 TAAR1 (0.65) TAAR1NAAAIDO1HRH3FDPS
SCHEMBL8101975 0.82 TAAR1 (0.65) TAAR1NAAAIDO1HRH3FDPS

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 TAAR1 4503/4885NAAA 1107/4885IDO1 986/4885

“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.