SCHEMBL13636294

SCHEMBL13636294

CC(C)NC(C)(C)CCC/C=C/c1cccc(C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.38
CYP26B1 Q9NR63 4/20 0.34
CYP26A1 O43174 2/20 0.34
NR1H4 Q96RI1 3/20 0.33
HTT P42858 1/20 0.32
THRB P10828 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
EPOR P19235 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ACHE P22303 2/20 0.31
NFE2L2 Q16236 1/20 0.31
CTSL P07711 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
SCHEMBL13636289 0.80 TRPV1 (0.35) TRPV1CYP26B1CYP26A1NR1H4HTT
SCHEMBL13636297 0.76 EPOR (0.33) TRPV1CYP26B1CYP26A1NR1H4HTT
SCHEMBL13636266 0.75 EPOR (0.32) TRPV1CYP26B1CYP26A1NR1H4HTT
SCHEMBL13636299 0.74 EPOR (0.32) TRPV1CYP26B1HTTL3MBTL1LMNA
SCHEMBL13639106 0.73 CHRNB2 (0.35) TRPV1CYP26B1CYP26A1HTTL3MBTL1
SCHEMBL13636295 0.72 SIGMAR1 (0.37) HTTLMNAMAPTACHE
SCHEMBL13636281 0.72 TRPV1 (0.33) TRPV1CYP26B1CYP26A1NR1H4EPOR
SCHEMBL13639036 0.71 CHRNB2 (0.34) TRPV1CYP26B1HTTL3MBTL1LMNA
SCHEMBL16167476 0.71 NFE2L2 (0.41) TRPV1CYP26B1CYP26A1ACHENFE2L2
SCHEMBL16167471 0.71 NFE2L2 (0.41) TRPV1CYP26B1CYP26A1ACHENFE2L2

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 4 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-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
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 TRPV1 2679/4885CYP26B1 485/4885CYP26A1 502/4885

“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.