SCHEMBL16079593

SCHEMBL16079593

OC1=CC(N2CCOCC2)=CCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.34
KMO O15229 1/20 0.33
ALDH1A1 P00352 5/20 0.33
ALOX15 P16050 4/20 0.33
HSD17B10 Q99714 4/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
PRKDC P78527 3/20 0.32
PIK3CD O00329 2/20 0.32
PIK3CA P42336 2/20 0.32
PIK3CB P42338 2/20 0.32
PIK3CG P48736 2/20 0.32
GPR55 Q9Y2T6 1/20 0.32
MAPT P10636 7/20 0.32
HTT P42858 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 2/20 0.32
STAT3 P40763 1/20 0.32
KMT2A Q03164 5/20 0.32
MEN1 O00255 4/20 0.32

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
SCHEMBL16079591 0.78 LMNA (0.34) LMNAALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL14087874 0.75 MAPT (0.34) LMNAALDH1A1HSD17B10KDM4EMAPT
SCHEMBL11623043 0.74 AR (0.44) LMNAKDM4EPRKDCPIK3CAPIK3CB
SCHEMBL5069635 0.70 LMNA (0.34) LMNAALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL27793746 0.69 LMNA (0.43) LMNAALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL11622794 0.69 ALDH1A1 (0.44) ALDH1A1KDM4EPRKDCPIK3CAPIK3CB
SCHEMBL11625392 0.68 AOC3 (0.39) LMNAALDH1A1HSD17B10KDM4EHPGD
SCHEMBL28305687 0.67 MTOR (0.38) LMNAALDH1A1KDM4EHPGDPRKDC
SCHEMBL16501134 0.67 LMNA (0.38) LMNAKMOALDH1A1ALOX15HSD17B10
SCHEMBL16088305 0.67 GAA (0.33) LMNAALDH1A1ALOX15HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359380-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-07 US disclosed
US-20140275059-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-18 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-20140275059-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK LMNA 484/4885KMO 2181/4885ALDH1A1 2935/4885

“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.