SCHEMBL13636274

SCHEMBL13636274

COc1ccc(C(C)(C)C)cc1/C=C/CC(C)(C)COC(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
CYP1A1 P04798 2/20 0.32
CYP1B1 Q16678 2/20 0.32
CYP1A2 P05177 1/20 0.32
NFE2L2 Q16236 1/20 0.32
ATM Q13315 1/20 0.32
BACE1 P56817 1/20 0.32
TRPV1 Q8NER1 2/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
MAPK1 P28482 1/20 0.31
GAK O14976 1/20 0.31
RIPK2 O43353 1/20 0.31
COQ8A Q8NI60 1/20 0.31
NLK Q9UBE8 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL13636276 0.88 MEN1 (0.34) KMT2AMEN1HTTCYP1A1CYP1B1
SCHEMBL13822036 0.87 CYP1A1 (0.35) KMT2AMEN1HTTCYP1A1CYP1B1
SCHEMBL13636262 0.80 MEN1 (0.36) KMT2AMEN1HTTCYP1A1CYP1B1
SCHEMBL13636257 0.80 MEN1 (0.36) KMT2AMEN1HTTCYP1A1CYP1B1
SCHEMBL13636261 0.79 MEN1 (0.35) KMT2AMEN1HTTCYP1A1CYP1B1
SCHEMBL13636278 0.75 EPOR (0.33) NFE2L2TRPV1NR1H4
SCHEMBL13636291 0.73 HTT (0.37) KMT2AMEN1HTTCYP1A1CYP1B1
SCHEMBL13636314 0.73 MEN1 (0.31) KMT2AMEN1HTT
SCHEMBL8003302 0.72 ACHE (0.40) KMT2AMEN1CYP1A1CYP1B1CYP1A2
SCHEMBL15003033 0.72 HMGCR (0.53) CYP1A1CYP1B1CYP1A2NFE2L2BACE1

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 KMT2A 2482/4885MEN1 4264/4885HTT 4341/4885

“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.