SCHEMBL13639103

SCHEMBL13639103

CCOCC(C)(C)CCCc1cc(C(C)(C)C)ccc1OC

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.36
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
CETP P11597 1/20 0.33
ADRA1A P35348 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
ATM Q13315 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR2A P28223 1/20 0.32
PPARG P37231 1/20 0.32

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
SCHEMBL13636275 0.83 MEN1 (0.39) TACR1PPARDPPARAMEN1HTT
SCHEMBL13639117 0.81 TACR1 (0.37) TACR1PPARDPPARAMEN1HTT
SCHEMBL13639096 0.81 TACR1 (0.37) TACR1PPARDPPARAMEN1HTT
SCHEMBL27935806 0.80 HTR2A (0.41) TACR1PPARDPPARAMEN1HTT
SCHEMBL13636277 0.80 MEN1 (0.38) TACR1PPARDPPARAMEN1HTT
SCHEMBL11348933 0.79 HTR2A (0.47) PPARDPPARAHTR2A
SCHEMBL10961574 0.77 GABRA1 (0.46) TACR1PPARDPPARAMEN1HTT
SCHEMBL13639086 0.76 CNR1 (0.36) TACR1PPARDPPARAMEN1HTT
SCHEMBL13636316 0.75 HTT (0.37) TACR1PPARDPPARAMEN1HTT
SCHEMBL13639115 0.74 TACR1 (0.38) TACR1PPARAHTTTAAR1POLB

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 TACR1 1003/4885PPARD 3415/4885PPARA 2998/4885

“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.