SCHEMBL13619790

SCHEMBL13619790

CCOC(=O)c1c(O)n2c(c(CCC(C)C)c1=O)CCCC2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
GAA P10253 4/20 0.44
ALOX15 P16050 2/20 0.44
MAPK1 P28482 4/20 0.41
LMNA P02545 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 3/20 0.36
PDE3B Q13370 4/20 0.35
PDE3A Q14432 4/20 0.35
TSHR P16473 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL13619852 0.69 KDM4E (0.40) ALDH1A1GAAALOX15MAPK1MEN1
SCHEMBL13619595 0.69 ALDH1A1 (0.49) ALDH1A1GAAMAPK1LMNAMEN1
SCHEMBL696762 0.65 MAPK1 (0.54) ALDH1A1GAAALOX15MAPK1LMNA
SCHEMBL711780 0.65 ALDH1A1 (0.65) ALDH1A1GAAALOX15MAPK1LMNA
SCHEMBL13857264 0.64 MAPK1 (0.53) ALDH1A1GAAALOX15MAPK1MEN1
SCHEMBL17438038 0.64 ALDH1A1 (0.44) ALDH1A1GAAALOX15MAPK1LMNA
SCHEMBL10385396 0.63 ALDH1A1 (0.58) ALDH1A1GAAALOX15MAPK1LMNA
SCHEMBL1583105 0.63 ALDH1A1 (0.57) ALDH1A1GAAALOX15MAPK1LMNA
SCHEMBL696571 0.62 MAPK1 (0.51) ALDH1A1GAAALOX15MAPK1MEN1
SCHEMBL4272556 0.62 GAA (0.71) ALDH1A1GAAALOX15MAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009134616-A2 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-05 WO disclosed
US-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-10-15 US disclosed
US-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-10-15 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-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication EIF2AK2, HAVCR2, HDGF ALDH1A1 1614/4885GAA 799/4885ALOX15 3503/4885

“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.