SCHEMBL13639087

SCHEMBL13639087

CCOCCCC/C=C/COc1ccc(C(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
HRH3 Q9Y5N1 4/20 0.40
KDM4E B2RXH2 2/20 0.38
MMP14 P50281 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 1/20 0.36
APP P05067 1/20 0.36
MAOB P27338 1/20 0.36
AOC3 Q16853 1/20 0.36
EPHX2 P34913 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL13636302 0.82 SMN1; SMN2 (0.40) SMN1; SMN2HRH3KDM4EPPARGPPARA
SCHEMBL13636303 0.81 HRH3 (0.41) SMN1; SMN2HRH3KDM4EPPARGPPARA
SCHEMBL10960958 0.78 APP (0.49) SMN1; SMN2HRH3KDM4EMEN1KMT2A
SCHEMBL1527681 0.75 KDM4E (0.51) SMN1; SMN2HRH3KDM4EMMP14MEN1
SCHEMBL22248702 0.73 HRH3 (0.62) SMN1; SMN2HRH3KDM4EMEN1KMT2A
SCHEMBL25694673 0.72 SMN1; SMN2 (0.46) SMN1; SMN2HRH3KDM4EPPARGPPARA
SCHEMBL14088926 0.72 SMN1; SMN2 (0.49) SMN1; SMN2HRH3KDM4EMEN1KMT2A
SCHEMBL10960952 0.72 APP (0.41) APP
Triton X SCHEMBL28322387 0.71 CYP3A4 (0.61) SMN1; SMN2HRH3MEN1KMT2AALDH1A1
SCHEMBL25194021 0.71 KDM4E (0.47) SMN1; SMN2HRH3KDM4EMEN1KMT2A

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 SMN1; SMN2 3603/4885HRH3 3743/4885KDM4E 1235/4885

“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.