SCHEMBL13636266

SCHEMBL13636266

CC(C)OCCCC/C=C/c1cccc(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPOR P19235 2/20 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
NFE2L2 Q16236 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
CYP26B1 Q9NR63 2/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
LTB4R Q15722 2/20 0.31
LTB4R2 Q9NPC1 2/20 0.31
DRD3 P35462 1/20 0.31
MAOB P27338 1/20 0.30
CYP26A1 O43174 1/20 0.30
NR1H4 Q96RI1 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
SCHEMBL13636299 0.99 EPOR (0.32) EPORLMNAPOLBHTTL3MBTL1
SCHEMBL13636297 0.96 EPOR (0.33) EPORLMNAPOLBHTTL3MBTL1
SCHEMBL13639036 0.83 CHRNB2 (0.34) EPORLMNAPOLBHTTL3MBTL1
SCHEMBL13639097 0.82 CHRNB2 (0.33) LMNAPOLBHTTL3MBTL1NFE2L2
SCHEMBL13702999 0.81 ALDH1A1 (0.35) LMNAHTTTRPV1LTB4RLTB4R2
SCHEMBL13636281 0.81 TRPV1 (0.33) EPORNFE2L2TRPV1CYP26B1MAOB
SCHEMBL13636289 0.81 TRPV1 (0.35) EPORHTTL3MBTL1NFE2L2TRPV1
SCHEMBL13703294 0.80 CYP4F2 (0.35) L3MBTL1
SCHEMBL14692907 0.80 ALDH1A1 (0.35) LMNAHTTLTB4RLTB4R2
SCHEMBL13639106 0.80 CHRNB2 (0.35) EPORLMNAPOLBHTTL3MBTL1

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 EPOR 4198/4885LMNA 3383/4885POLB 4230/4885

“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.