SCHEMBL13636250

SCHEMBL13636250

CC(C)OCCC/C=C/COc1ccccc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 4/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 3/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 3/20 0.38
HTT P42858 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC2A1 P11166 1/20 0.37
LMNA P02545 1/20 0.36
NISCH Q9Y2I1 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.34

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
SCHEMBL13636249 0.92 CYP1A2 (0.42) ALDH1A1KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL13636243 0.86 MAPT (0.43) ALDH1A1KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL13636246 0.83 ALDH1A1 (0.56) ALDH1A1KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL13636325 0.82 NPC1 (0.34) ALDH1A1CYP1A2CYP2C19GAANPSR1
SCHEMBL13636251 0.82 ALDH1A1 (0.57) ALDH1A1KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL13636302 0.72 SMN1; SMN2 (0.40) ALDH1A1KDM4ERXRARXRBMEN1
SCHEMBL13636303 0.71 HRH3 (0.41) ALDH1A1KDM4ERXRARXRBMEN1
SCHEMBL15827679 0.69 CYP1A2 (0.47) ALDH1A1KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL14952783 0.69 ALDH1A1 (0.49) ALDH1A1KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL7749472 0.69 HSD17B10 (0.47) ALDH1A1KDM4ECYP1A2CYP2D6CYP2C19

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 ALDH1A1 1028/4885KDM4E 1235/4885CYP1A2 340/4885

“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.