SCHEMBL13636325

SCHEMBL13636325

COc1ccc(C(C)(C)C)c(OC/C=C/CCCOC(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MPO P05164 1/20 0.32
TP53 P04637 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
HTT P42858 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CNR1 P21554 3/20 0.31
CNR2 P34972 1/20 0.31
LPAR1 Q92633 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
RECQL P46063 1/20 0.30
ADRA1A P35348 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
SCHEMBL13636326 0.84 L3MBTL1 (0.40) NPC1RAB9AMEN1KMT2AMPO
SCHEMBL13636250 0.82 ALDH1A1 (0.41) MEN1KMT2ATP53HTTALDH1A1
SCHEMBL13636253 0.81 ADRA1A (0.34) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL13636255 0.78 CNR1 (0.33) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL13636249 0.74 CYP1A2 (0.42) MEN1KMT2ATP53L3MBTL1HTT
SCHEMBL13636302 0.73 SMN1; SMN2 (0.40) MEN1KMT2AALDH1A1
SCHEMBL14850360 0.72 AHR (0.43) L3MBTL1HTTALDH1A1GAALPAR1
SCHEMBL22140241 0.72 CA1 (0.44) ALDH1A1GAANPSR1LPAR1CYP1A2
SCHEMBL13636303 0.72 HRH3 (0.41) MEN1KMT2AALDH1A1CNR1CNR2
SCHEMBL13636256 0.70 HTR2A (0.35) NPC1RAB9AMEN1KMT2AL3MBTL1

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 NPC1 288/4885RAB9A 4035/4885MEN1 4264/4885

“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.