SCHEMBL4685238

SCHEMBL4685238

C=CCOP(=O)(OCC=C)OCc1c(CO)cccc1OC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.39
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 5/20 0.38
HTT P42858 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HSP90AA1 P07900 1/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.36
GAA P10253 2/20 0.34
KMT2A Q03164 3/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
ELANE P08246 1/20 0.33
KDM5A P29375 1/20 0.33
KDM5C P41229 1/20 0.33
IDO1 P14902 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
SCHEMBL4680664 0.85 ALDH1A1 (0.35) ALDH1A1
SCHEMBL4680553 0.82 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1HTTRAB9AHPGD
SCHEMBL4684488 0.81 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EALDH1A1HTTNPC1
SCHEMBL4683779 0.81 BACE1 (0.34) SMN1; SMN2KDM4EALDH1A1HTTNPC1
SCHEMBL4683233 0.81 CTSD (0.39) SMN1; SMN2KDM4EALDH1A1HTTNPC1
SCHEMBL8791448 0.78 PKM (0.38) SMN1; SMN2ALDH1A1HPGDLMNAGAA
SCHEMBL14066501 0.75 PKM (0.35) SMN1; SMN2HPGD
SCHEMBL4981005 0.75 ALDH1A1 (0.48) SMN1; SMN2KDM4EALDH1A1HTTHPGD
SCHEMBL1029593 0.71 PDE4A (0.45) SMN1; SMN2KDM4EALDH1A1HPGDLMNA
SCHEMBL14485992 0.69

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
EP-1362856-B1 WATER-SOLUBLE TRIAZOLE FUNGICIDE DAIICHI SANKYO CO LTD (JP) 2008-09-10 EP disclosed
US-7230023-B2 Water-soluble triazole fungicide SANKYO COMPANY, LIMITED (JP) 2007-06-12 US disclosed
US-20040198790-A1 Water-soluble triazole fungicide SANKYO COMPANY, LIMITED (JP) 2004-10-07 US disclosed
EP-1362856-A1 WATER-SOLUBLE TRIAZOLE FUNGICIDE Sankyo Company, Limited (JP) 2003-11-19 EP 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-20040198790-A1 Water-soluble triazole fungicide ERG28, CYP51A1, XDH SMN1; SMN2 4222/4885KDM4E 2647/4885ALDH1A1 1619/4885

“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.