SCHEMBL13636319

SCHEMBL13636319

CC(C)OCCCCCCc1ccccc1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP3 P42574 1/20 0.36
BLM P54132 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
GAA P10253 3/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
ADRB2 P07550 4/20 0.33
ADRB1 P08588 4/20 0.33
POLB P06746 1/20 0.33
ALOX15 P16050 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
SCHEMBL13636318 1.00 ALDH1A1 (0.37) ALDH1A1KDM4ETDP1NPSR1SMN1; SMN2
SCHEMBL8694974 0.79 ALDH1A1 (0.38) ALDH1A1KDM4ETDP1NPSR1GAA
SCHEMBL13636251 0.79 ALDH1A1 (0.57) ALDH1A1KDM4ETDP1NPSR1MAPT
SCHEMBL13636254 0.79 HTR2A (0.35) TDP1MEN1KMT2A
SCHEMBL13636256 0.79 HTR2A (0.35) TDP1MEN1KMT2A
SCHEMBL10202439 0.78 ALDH1A1 (0.36) ALDH1A1KDM4ETDP1NPSR1SMN1; SMN2
SCHEMBL13636246 0.78 ALDH1A1 (0.56) ALDH1A1KDM4ETDP1NPSR1SMN1; SMN2
SCHEMBL30824703 0.78 MGLL (0.47) ALDH1A1GAA
SCHEMBL1788365 0.77 CYP4F2 (0.41) ALDH1A1KDM4ETDP1MAPK1GAA
SCHEMBL12894322 0.76 IDO1 (0.39) ALDH1A1TDP1MAPTTSHR

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 1235/4885TDP1 3972/4885

“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.