SCHEMBL13636281

SCHEMBL13636281

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

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.33
CYP26B1 Q9NR63 2/20 0.33
EPOR P19235 1/20 0.32
CYP26A1 O43174 1/20 0.32
NR1H4 Q96RI1 1/20 0.31
NFE2L2 Q16236 1/20 0.31
MAOB P27338 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
SCHEMBL13636278 0.87 EPOR (0.33) TRPV1CYP26B1EPORCYP26A1NR1H4
SCHEMBL14693064 0.85 HDAC4 (0.33) TRPV1
SCHEMBL13636297 0.82 EPOR (0.33) TRPV1CYP26B1EPORCYP26A1NR1H4
SCHEMBL13636266 0.81 EPOR (0.32) TRPV1CYP26B1EPORCYP26A1NR1H4
SCHEMBL13636299 0.80 EPOR (0.32) TRPV1CYP26B1EPORNFE2L2MAOB
SCHEMBL14692944 0.78 RXRA (0.33) TRPV1EPOR
SCHEMBL13636289 0.77 TRPV1 (0.35) TRPV1CYP26B1EPORCYP26A1NR1H4
SCHEMBL13636279 0.72 BCHE (0.35)
SCHEMBL13636294 0.72 TRPV1 (0.38) TRPV1CYP26B1EPORCYP26A1NR1H4
SCHEMBL14692921 0.72 HDAC4 (0.33) TRPV1

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 485/4885EPOR 4198/4885

“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.