SCHEMBL13636262

SCHEMBL13636262

COc1ccc(C(C)(C)C)cc1/C=C/CCCOC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
REN P00797 1/20 0.34
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
RECQL P46063 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PTPN1 P18031 2/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
NFE2L2 Q16236 1/20 0.32
CYP1B1 Q16678 1/20 0.32
ATM Q13315 1/20 0.32
BACE1 P56817 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
GAA P10253 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
SCHEMBL13636257 0.97 MEN1 (0.36) MEN1HTTKMT2ARENKDM4E
SCHEMBL13636261 0.96 MEN1 (0.35) MEN1HTTKMT2ARENKDM4E
SCHEMBL13639105 0.85 L3MBTL1 (0.38) MEN1HTTKMT2AKDM4ESMN1; SMN2
SCHEMBL13636291 0.83 HTT (0.37) MEN1HTTKMT2ARENKDM4E
SCHEMBL13636276 0.83 MEN1 (0.34) MEN1HTTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL13639032 0.82 L3MBTL1 (0.36) KDM4ESMN1; SMN2ALDH1A1MAPTRECQL
SCHEMBL13636314 0.82 MEN1 (0.31) MEN1HTTKMT2AREN
SCHEMBL13636306 0.81 HTT (0.40) MEN1HTTKMT2ARENKDM4E
SCHEMBL13636308 0.81 HTT (0.39) MEN1HTTKMT2ARENKDM4E
SCHEMBL13636274 0.80 KMT2A (0.36) MEN1HTTKMT2ASMN1; SMN2ALDH1A1

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 MEN1 4264/4885HTT 4341/4885KMT2A 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.