SCHEMBL13636306

SCHEMBL13636306

COc1ccc(C(C)(C)C)cc1/C=C/CCCNC(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
REN P00797 1/20 0.34
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
BACE1 P56817 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP3A4 P08684 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL13636308 0.96 HTT (0.39) HTTMEN1KMT2ARENKDM4E
SCHEMBL13636293 0.83 HTT (0.38) HTTMEN1KMT2ARENKDM4E
SCHEMBL13636262 0.81 MEN1 (0.36) HTTMEN1KMT2ARENKDM4E
SCHEMBL13636257 0.81 MEN1 (0.36) HTTMEN1KMT2ARENKDM4E
SCHEMBL13636261 0.81 MEN1 (0.35) HTTMEN1KMT2ARENKDM4E
SCHEMBL13636291 0.80 HTT (0.37) HTTMEN1KMT2ARENKDM4E
SCHEMBL13846061 0.79 NPSR1 (0.35) RENKDM4EALDH1A1TDP1BACE1
SCHEMBL13639105 0.79 L3MBTL1 (0.38) HTTMEN1KMT2AKDM4EALDH1A1
SCHEMBL13639032 0.77 L3MBTL1 (0.36) KDM4EALDH1A1BACE1SMN1; SMN2L3MBTL1
SCHEMBL13636276 0.75 MEN1 (0.34) HTTMEN1KMT2AALDH1A1BACE1

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.