SCHEMBL13636289

SCHEMBL13636289

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.35
CYP26B1 Q9NR63 4/20 0.35
CYP26A1 O43174 2/20 0.34
EPOR P19235 2/20 0.34
NR1H4 Q96RI1 2/20 0.33
MAOB P27338 1/20 0.32
ACHE P22303 2/20 0.31
NFE2L2 Q16236 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
HTT P42858 1/20 0.30
THRB P10828 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL14693061 0.85 RXRA (0.34) TRPV1EPORHTT
SCHEMBL13636297 0.82 EPOR (0.33) TRPV1CYP26B1CYP26A1EPORNR1H4
SCHEMBL14692923 0.81 KIF11 (0.33) TRPV1HTT
SCHEMBL13636266 0.81 EPOR (0.32) TRPV1CYP26B1CYP26A1EPORNR1H4
SCHEMBL13636294 0.80 TRPV1 (0.38) TRPV1CYP26B1CYP26A1EPORNR1H4
SCHEMBL13636299 0.80 EPOR (0.32) TRPV1CYP26B1EPORMAOBNFE2L2
SCHEMBL13636281 0.77 TRPV1 (0.33) TRPV1CYP26B1CYP26A1EPORNR1H4
SCHEMBL13636291 0.77 HTT (0.37) TRPV1NR1H4NFE2L2HTTL3MBTL1
SCHEMBL13639106 0.76 CHRNB2 (0.35) TRPV1CYP26B1CYP26A1EPORACHE
SCHEMBL13639036 0.74 CHRNB2 (0.34) TRPV1CYP26B1EPORNFE2L2HTT

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.