SCHEMBL13639104

SCHEMBL13639104

CCNC(C)(C)CCCCCc1cccc(C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.36
LIPG Q9Y5X9 2/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
KIF11 P52732 2/20 0.35
KCNN4 O15554 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ADRA2C P18825 1/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
DRD3 P35462 1/20 0.34
OPRK1 P41145 1/20 0.34
HTR2B P41595 1/20 0.34
BCHE P06276 1/20 0.33
BACE1 P56817 1/20 0.33

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
SCHEMBL13636295 0.82 SIGMAR1 (0.37) LPLLIPGPPARGPPARAHDAC1
SCHEMBL26030893 0.76 LPL (0.46) LPLLIPGPPARGPPARAKIF11
SCHEMBL9592544 0.75 CYP4F2 (0.49) LPLLIPGPPARGPPARAHDAC1
SCHEMBL13639039 0.74 PPARA (0.40) LPLLIPGPPARGPPARA
SCHEMBL13639038 0.74 PPARA (0.40) LPLLIPGPPARGPPARA
SCHEMBL12061422 0.73 MAOA (0.52) KIF11TAAR1
SCHEMBL13636290 0.73 PPARG (0.35) LPLLIPGPPARGPPARAHDAC1
SCHEMBL11396987 0.73 TP53 (0.46) KIF11SIGMAR1HTR2ABCHEBACE1
SCHEMBL12061428 0.72 TAAR1 (0.42) HDAC1HDAC8KIF11HTR2AHTR2B
SCHEMBL12062277 0.72 TAAR1 (0.53) KIF11TAAR1

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 LPL 920/4885LIPG 1635/4885PPARG 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.