SCHEMBL13639096

SCHEMBL13639096

CCOCCCCCc1cc(C(C)(C)C)ccc1OC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.37
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
HTR2A P28223 1/20 0.36
KDM4E B2RXH2 1/20 0.36
RECQL P46063 1/20 0.36
SLC6A2 P23975 5/20 0.36
SLC6A4 P31645 5/20 0.36
SLC6A3 Q01959 5/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL13639117 1.00 TACR1 (0.37) TACR1BCHEACHEL3MBTL1ALDH1A1
SCHEMBL11348933 0.84 HTR2A (0.47) PPARDPPARAHTR2A
SCHEMBL13636264 0.82 MEN1 (0.40) TACR1L3MBTL1ALDH1A1PPARDPPARA
SCHEMBL13636258 0.82 MEN1 (0.40) TACR1L3MBTL1ALDH1A1PPARDPPARA
SCHEMBL13636296 0.82 MEN1 (0.40) TACR1L3MBTL1ALDH1A1PPARDPPARA
SCHEMBL27935806 0.82 HTR2A (0.41) TACR1PPARDPPARAHTR2AMEN1
SCHEMBL13639103 0.81 TACR1 (0.36) TACR1ALDH1A1PPARDPPARAHTR2A
SCHEMBL13639086 0.81 CNR1 (0.36) TACR1PPARDPPARAHTR2AMEN1
SCHEMBL13703379 0.80 L3MBTL1 (0.43) L3MBTL1KDM4EMEN1HTTKMT2A
SCHEMBL13639129 0.80 HTR2A (0.43) BCHEACHEHTR2ARECQLMEN1

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 TACR1 1003/4885BCHE 1623/4885ACHE 2027/4885

“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.