SCHEMBL18684792

SCHEMBL18684792

CC(C)NC1CCCC(NC(C)C)CCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MDM2 Q00987 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 1/20 0.35
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH7 P40394 1/20 0.35
ATM Q13315 1/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
HTT P42858 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
EPHX1 P07099 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL104716 1.00
SCHEMBL104342 0.93
SCHEMBL7776775 0.90 ALDH1A1 (0.47) GAAL3MBTL1ALDH1A1HSD17B10ADH1B
SCHEMBL22369902 0.90 ALDH1A1 (0.47) GAAL3MBTL1ALDH1A1HSD17B10ADH1B
SCHEMBL18844888 0.90 ALDH1A1 (0.47) GAAL3MBTL1ALDH1A1HSD17B10ADH1B
SCHEMBL23319723 0.90 GAA (0.46) GAAL3MBTL1MDM2ALDH1A1HSD17B10
SCHEMBL19705361 0.90 ALDH1A1 (0.47) GAAL3MBTL1ALDH1A1HSD17B10ADH1B
SCHEMBL19966112 0.90 ALDH1A1 (0.47) GAAL3MBTL1ALDH1A1HSD17B10ADH1B
SCHEMBL278463 0.90 ALDH1A1 (0.47) GAAL3MBTL1ALDH1A1HSD17B10ADH1B
SCHEMBL104545 0.90 ALDH1A1 (0.47) GAAL3MBTL1ALDH1A1HSD17B10ADH1B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170088583-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2017-03-30 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-20170088583-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD GAA 719/4885L3MBTL1 3087/4885MDM2 2481/4885

“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.