SCHEMBL13636251

SCHEMBL13636251

CC(C)OCCCCCCOc1ccccc1C(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
KDM4E B2RXH2 4/20 0.57
GAA P10253 4/20 0.52
HTT P42858 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
NPSR1 Q6W5P4 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 2/20 0.45
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
SLC2A1 P11166 1/20 0.44
MAPT P10636 3/20 0.43
NISCH Q9Y2I1 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL13636246 0.98 ALDH1A1 (0.56) ALDH1A1KDM4EGAAHTTTDP1
SCHEMBL13636250 0.82 ALDH1A1 (0.41) ALDH1A1KDM4EGAAHTTTDP1
SCHEMBL13673933 0.80 ALDH1A1 (0.60) ALDH1A1KDM4EGAAHTTTDP1
SCHEMBL11006202 0.80 ALDH1A1 (0.73) ALDH1A1KDM4EGAAHTTTDP1
SCHEMBL11133824 0.80 ALDH1A1 (0.60) ALDH1A1KDM4EGAAHTTTDP1
SCHEMBL13636318 0.79 ALDH1A1 (0.37) ALDH1A1KDM4EGAAHTTTDP1
SCHEMBL13636319 0.79 ALDH1A1 (0.37) ALDH1A1KDM4EGAAHTTTDP1
SCHEMBL10264566 0.78 CYP1A2 (0.54) ALDH1A1KDM4EGAAHTTTDP1
SCHEMBL13636326 0.78 L3MBTL1 (0.40) ALDH1A1KDM4EGAAHTTTDP1
SCHEMBL13636249 0.78 CYP1A2 (0.42) ALDH1A1KDM4EGAAHTTTDP1

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 1235/4885GAA 761/4885

“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.