SCHEMBL13639086

SCHEMBL13639086

CCOC(C)(C)CCCCCc1cc(C(C)(C)C)ccc1OC

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.36
CNR2 P34972 3/20 0.36
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
HTR2A P28223 1/20 0.35
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
TACR1 P25103 1/20 0.34
ALOX5 P09917 2/20 0.33
PTGS2 P35354 2/20 0.33
ADRA1A P35348 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL13636288 0.83 MEN1 (0.39) CNR1CNR2PPARDPPARAHTR2A
SCHEMBL11348933 0.82 HTR2A (0.47) CNR1CNR2PPARDPPARAHTR2A
SCHEMBL13639117 0.81 TACR1 (0.37) PPARDPPARAHTR2AMEN1HTT
SCHEMBL13639096 0.81 TACR1 (0.37) PPARDPPARAHTR2AMEN1HTT
SCHEMBL27935806 0.80 HTR2A (0.41) CNR1CNR2PPARDPPARAHTR2A
SCHEMBL13639129 0.77 HTR2A (0.43) HTR2AMEN1KMT2A
SCHEMBL13639088 0.77 HTR2A (0.43) HTR2AMEN1KMT2A
SCHEMBL13636292 0.77 MEN1 (0.40) CNR1CNR2PPARDPPARAHTR2A
SCHEMBL10961574 0.77 GABRA1 (0.46) PPARDPPARAHTR2AMEN1HTT
SCHEMBL13639103 0.76 TACR1 (0.36) PPARDPPARAHTR2AMEN1HTT

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 CNR1 2732/4885CNR2 3742/4885PPARD 3415/4885

“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.