SCHEMBL4686753

SCHEMBL4686753

C=CCOP(=O)(OCC=C)OCc1ccc(C#N)cc1C(=O)OCc1ccc(OC)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MMP9 P14780 2/20 0.34
MMP1 P03956 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SNCA P37840 1/20 0.34
GSK3B P49841 2/20 0.34
MMP2 P08253 1/20 0.34
MMP12 P39900 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
RAB9A P51151 1/20 0.33
VNN1 O95497 2/20 0.33
FFAR1 O14842 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
SCHEMBL4679431 0.93 MMP9 (0.36) POLBMAPTALDH1A1MMP9MMP1
SCHEMBL4683499 0.87 DHODH (0.42) ALDH1A1MMP9MMP1TSHRTDP1
SCHEMBL4684333 0.86 MMP9 (0.36) POLBMAPTMMP9MMP1TSHR
SCHEMBL4683687 0.86 KMT2A (0.41) ALDH1A1MMP9MMP1MMP2MMP12
SCHEMBL4683332 0.83 ALDH1A1 (0.38) ALDH1A1MMP9MMP1MMP2MMP12
SCHEMBL4686145 0.80 KMT2A (0.41) MAPTALDH1A1MMP9MMP1MMP2
SCHEMBL4681323 0.80 GAA (0.34) TSHR
SCHEMBL4683581 0.79 FNTA (0.31)
SCHEMBL4681403 0.77 KDM4E (0.38) POLBMAPTALDH1A1MMP9MMP1
SCHEMBL4680016 0.75 MMP9 (0.41) ALDH1A1MMP9MMP1TDP1MMP2

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 POLB 4586/4885MAPT 2802/4885ALDH1A1 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.