SCHEMBL4680657

SCHEMBL4680657

C=CCOP(=O)(OCC=C)OCc1c(F)cccc1C(=O)OCc1ccc(OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP12 P39900 1/20 0.40
ALDH1A1 P00352 2/20 0.39
THRB P10828 1/20 0.38
KDM4E B2RXH2 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 2/20 0.36
CYP3A4 P08684 1/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.35
CASP3 P42574 2/20 0.35
SENP7 Q9BQF6 2/20 0.35
SENP6 Q9GZR1 2/20 0.35
SENP8 Q96LD8 1/20 0.35
P2RX4 Q99571 1/20 0.35
CACNA1B Q00975 1/20 0.35

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
SCHEMBL4680016 0.85 MMP9 (0.41) MMP9MMP1MMP2MMP12ALDH1A1
SCHEMBL4683687 0.80 KMT2A (0.41) MMP9MMP1MMP2MMP12ALDH1A1
SCHEMBL4686145 0.80 KMT2A (0.41) MMP9MMP1MMP2MMP12ALDH1A1
SCHEMBL4681424 0.79 ALB (0.39) ALDH1A1TDP1KMT2ACYP3A4
SCHEMBL4683552 0.78 ALDH1A1 (0.40) MMP9MMP1MMP2MMP12ALDH1A1
SCHEMBL4683499 0.77 DHODH (0.42) MMP9MMP1MMP2MMP12ALDH1A1
SCHEMBL4683332 0.76 ALDH1A1 (0.38) MMP9MMP1MMP2MMP12ALDH1A1
SCHEMBL4681403 0.75 KDM4E (0.38) MMP9MMP1MMP2MMP12ALDH1A1
SCHEMBL4686753 0.74 POLB (0.35) MMP9MMP1MMP2MMP12ALDH1A1
SCHEMBL4679431 0.74 MMP9 (0.36) MMP9MMP1MMP2MMP12ALDH1A1

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 MMP9 301/4885MMP1 416/4885MMP2 290/4885

“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.