SCHEMBL13639115

SCHEMBL13639115

CCOCC(C)(C)CCCc1cccc(C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.38
KIF11 P52732 2/20 0.35
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
BCHE P06276 2/20 0.33
BACE1 P56817 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
SOD1 P00441 1/20 0.32
ACHE P22303 2/20 0.32
FDFT1 P37268 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LPL P06858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31

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
SCHEMBL13636279 0.82 BCHE (0.35) TACR1KIF11BCHEBACE1TAAR1
SCHEMBL13639039 0.79 PPARA (0.40) TACR1PPARGPPARAL3MBTL1LPL
SCHEMBL13639038 0.79 PPARA (0.40) TACR1PPARGPPARAL3MBTL1LPL
SCHEMBL13636280 0.78 BCHE (0.34) TACR1PPARGPPARABCHEBACE1
SCHEMBL26030893 0.76 LPL (0.46) KIF11PPARGPPARABCHETAAR1
SCHEMBL12061428 0.75 TAAR1 (0.42) TACR1KIF11BCHEBACE1TAAR1
SCHEMBL13798386 0.75 TACR1 (0.50) TACR1KIF11BCHEBACE1SOD1
SCHEMBL13639103 0.74 TACR1 (0.36) TACR1PPARGPPARATAAR1POLB
SCHEMBL475558 0.73 TACR1 (0.42) TACR1KIF11BCHEBACE1TAAR1
SCHEMBL11396987 0.73 TP53 (0.46) TACR1KIF11BCHEBACE1TAAR1

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 TACR1 1003/4885KIF11 4296/4885PPARG 3368/4885

“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.