SCHEMBL13636254

SCHEMBL13636254

COc1ccc(C(C)(C)C)c(CCCCCCCOC(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.35
CNR2 P34972 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ADRA1A P35348 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
ESR1 P03372 1/20 0.33
CYP19A1 P11511 1/20 0.33
ESR2 Q92731 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL13636256 1.00 HTR2A (0.35) HTR2ACNR2NPC1RAB9AMEN1
SCHEMBL13636255 0.86 CNR1 (0.33) HTR2ACNR2NPC1RAB9AMEN1
SCHEMBL13636253 0.85 ADRA1A (0.34) HTR2ACNR2NPC1RAB9AMEN1
SCHEMBL13636326 0.82 L3MBTL1 (0.40) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL14850381 0.80 PTGS2 (0.44) HTR2AADRA1ATAAR1MTNR1AMTNR1B
SCHEMBL12894360 0.80 HTR2A (0.41) HTR2AADRA1ATAAR1
SCHEMBL14850093 0.79 TAAR1 (0.49) HTR2AMEN1KMT2AADRA1ATAAR1
SCHEMBL13636318 0.79 ALDH1A1 (0.37) MEN1KMT2ATDP1
SCHEMBL13636319 0.79 ALDH1A1 (0.37) MEN1KMT2ATDP1
SCHEMBL13964141 0.75 ADRA1A (0.42) HTR2AADRA1ATAAR1

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 HTR2A 3343/4885CNR2 3742/4885NPC1 288/4885

“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.