SCHEMBL13639032

SCHEMBL13639032

CCOCCCCC/C=C/c1cc(C(C)(C)C)ccc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP2C19 P33261 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
EPHX2 P34913 1/20 0.33
APP P05067 1/20 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
BCHE P06276 1/20 0.32
ACHE P22303 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
SCHEMBL13639105 0.97 L3MBTL1 (0.38) L3MBTL1ALDH1A1KDM4ESMN1; SMN2CYP2C19
SCHEMBL13636261 0.84 MEN1 (0.35) ALDH1A1KDM4ESMN1; SMN2RECQLMAPT
SCHEMBL13636257 0.82 MEN1 (0.36) ALDH1A1KDM4ESMN1; SMN2RECQLMAPT
SCHEMBL13636262 0.82 MEN1 (0.36) ALDH1A1KDM4ESMN1; SMN2RECQLMAPT
SCHEMBL13639116 0.81 TRPV1 (0.33) ALDH1A1SMN1; SMN2MAPTMAPK1NPSR1
SCHEMBL13703393 0.81 L3MBTL1 (0.41) L3MBTL1ALDH1A1KDM4ESMN1; SMN2CYP2C19
SCHEMBL13636308 0.78 HTT (0.39) L3MBTL1ALDH1A1KDM4ESMN1; SMN2RECQL
SCHEMBL13639097 0.77 CHRNB2 (0.33) L3MBTL1KDM4ENFE2L2TRPV1
SCHEMBL13636306 0.77 HTT (0.40) L3MBTL1ALDH1A1KDM4ESMN1; SMN2RECQL
SCHEMBL13639096 0.76 TACR1 (0.37) L3MBTL1ALDH1A1KDM4ERECQLBCHE

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 L3MBTL1 3177/4885ALDH1A1 1028/4885KDM4E 1235/4885

“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.