SCHEMBL13639116

SCHEMBL13639116

CCOCC(C)(C)CC/C=C/c1cc(C(C)(C)C)ccc1OC

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
NFE2L2 Q16236 1/20 0.31
CYP1B1 Q16678 1/20 0.31
BACE1 P56817 1/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
GAK O14976 1/20 0.30
RIPK2 O43353 1/20 0.30
COQ8A Q8NI60 1/20 0.30
NLK Q9UBE8 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 0.84 MEN1 (0.34) TRPV1ALDH1A1SMN1; SMN2CYP1A1CYP1A2
SCHEMBL13639105 0.84 L3MBTL1 (0.38) TRPV1ALDH1A1SMN1; SMN2CYP1A1CYP1A2
SCHEMBL13639032 0.81 L3MBTL1 (0.36) TRPV1ALDH1A1SMN1; SMN2CYP1A1CYP1A2
SCHEMBL13822036 0.76 CYP1A1 (0.35) TRPV1ALDH1A1SMN1; SMN2CYP1A1CYP1A2
SCHEMBL7989707 0.74 ACHE (0.38) ALDH1A1CYP1A1CYP1A2NFE2L2CYP1B1
SCHEMBL13636262 0.74 MEN1 (0.36) TRPV1ALDH1A1SMN1; SMN2CYP1A1CYP1A2
SCHEMBL13845921 0.73 CYP1A1 (0.33) ALDH1A1SMN1; SMN2CYP1A1CYP1A2NFE2L2
SCHEMBL13639103 0.73 TACR1 (0.36) ALDH1A1SMN1; SMN2MEN1HTTKMT2A
SCHEMBL13636291 0.72 HTT (0.37) TRPV1ALDH1A1SMN1; SMN2CYP1A1CYP1A2
SCHEMBL13636257 0.72 MEN1 (0.36) TRPV1ALDH1A1SMN1; SMN2CYP1A1CYP1A2

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 TRPV1 2679/4885ALDH1A1 1028/4885SMN1; SMN2 3603/4885

“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.