SCHEMBL4683233

SCHEMBL4683233

C=CCOP(=O)(OCC=C)OCc1c(OC)cccc1C(=O)Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.39
LIG1 P18858 1/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 5/20 0.35
POLB P06746 1/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HSP90AA1 P07900 1/20 0.35
CYP3A4 P08684 1/20 0.35
STAT3 P40763 1/20 0.35
ALOX12 P18054 1/20 0.34
MAPK10 P53779 1/20 0.34

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
SCHEMBL4684488 0.89 SMN1; SMN2 (0.41) CTSDLIG1NPC1RAB9ASMN1; SMN2
SCHEMBL4684955 0.85 CXCR5 (0.36) LIG1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4685231 0.84 HPGD (0.39) LIG1SMN1; SMN2L3MBTL1POLBHTT
SCHEMBL4683552 0.83 ALDH1A1 (0.40) LIG1RAB9ASMN1; SMN2ATML3MBTL1
SCHEMBL4685238 0.81 SMN1; SMN2 (0.39) NPC1RAB9ASMN1; SMN2LMNAL3MBTL1
SCHEMBL6985697 0.77 CTSD (0.40) CTSDLIG1NPC1RAB9ASMN1; SMN2
SCHEMBL6985699 0.75 CTSD (0.38) CTSDLIG1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL4681144 0.75 CYP3A4 (0.35) LIG1SMN1; SMN2L3MBTL1KDM4EPOLB
SCHEMBL4679839 0.74 CXCR5 (0.39) LIG1SMN1; SMN2LMNAL3MBTL1KDM4E
SCHEMBL4681082 0.74 TSHR (0.40) LIG1SMN1; SMN2L3MBTL1POLBHTT

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 CTSD 2777/4885LIG1 4677/4885NPC1 1507/4885

“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.