SCHEMBL13636253

SCHEMBL13636253

COc1ccc(C(C)(C)C)c(CC/C=C/CCCOC(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HTR2A P28223 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CNR1 P21554 4/20 0.32
CNR2 P34972 2/20 0.32
IDO1 P14902 2/20 0.31
TP53 P04637 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
SCHEMBL13636255 0.96 CNR1 (0.33) ADRA1ATAAR1NPC1RAB9AHTR2A
SCHEMBL13636254 0.85 HTR2A (0.35) ADRA1ATAAR1NPC1RAB9AHTR2A
SCHEMBL13636256 0.85 HTR2A (0.35) ADRA1ATAAR1NPC1RAB9AHTR2A
SCHEMBL13636325 0.81 NPC1 (0.34) ADRA1ATAAR1NPC1RAB9AMEN1
SCHEMBL12894360 0.76 HTR2A (0.41) ADRA1ATAAR1HTR2AIDO1
SCHEMBL13636326 0.73 L3MBTL1 (0.40) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL13964141 0.71 ADRA1A (0.42) ADRA1ATAAR1HTR2AIDO1
SCHEMBL14850381 0.70 PTGS2 (0.44) ADRA1ATAAR1HTR2A
SCHEMBL14850093 0.69 TAAR1 (0.49) ADRA1ATAAR1HTR2AMEN1KMT2A
SCHEMBL13846007 0.69 ADRA1A (0.39) ADRA1ATAAR1CNR1CNR2IDO1

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 ADRA1A 4726/4885TAAR1 4474/4885NPC1 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.