SCHEMBL13636316

SCHEMBL13636316

CCC(CC)(CCCc1cc(C(C)(C)C)ccc1OC)COC(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
HTR2A P28223 1/20 0.32
TACR1 P25103 1/20 0.32
PPARG P37231 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
SLC13A5 Q86YT5 1/20 0.31
ADRA1A P35348 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
TSHR P16473 1/20 0.31
CETP P11597 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31

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 0.86 MEN1 (0.39) HTTMEN1KMT2AATMPPARD
SCHEMBL13636277 0.83 MEN1 (0.38) HTTMEN1KMT2AATMPPARD
SCHEMBL13636264 0.79 MEN1 (0.40) HTTMEN1KMT2AATMPPARD
SCHEMBL13636296 0.79 MEN1 (0.40) HTTMEN1KMT2AATMPPARD
SCHEMBL13636258 0.79 MEN1 (0.40) HTTMEN1KMT2AATMPPARD
SCHEMBL27935806 0.76 HTR2A (0.41) HTTMEN1KMT2APPARDPPARA
SCHEMBL13639103 0.75 TACR1 (0.36) HTTMEN1KMT2AATMPPARD
SCHEMBL11348933 0.75 HTR2A (0.47) PPARDPPARAHTR2ACNR1CNR2
SCHEMBL13636288 0.74 MEN1 (0.39) HTTMEN1KMT2AATMPPARD
SCHEMBL10961574 0.73 GABRA1 (0.46) HTTMEN1KMT2AATMPPARD

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

“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.