SCHEMBL4683757

SCHEMBL4683757

O=C(O)c1cc(COC2CCCCO2)ccc1COC1CCCCO1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CREBBP Q92793 2/20 0.45
EP300 Q09472 1/20 0.44
ICAM1 P05362 1/20 0.44
SELE P16581 1/20 0.44
FOLH1 Q04609 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KCNA3 P22001 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
MGLL Q99685 1/20 0.36
EPHX2 P34913 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
SCHEMBL4322060 0.86 MEN1 (0.50) MEN1KMT2ACREBBPEP300ICAM1
SCHEMBL3811958 0.82 KMT2A (0.64) MEN1KMT2ACREBBPEP300ICAM1
SCHEMBL4505041 0.82 MEN1 (0.54) MEN1KMT2ACREBBPEP300
SCHEMBL4680154 0.81 ICAM1 (0.39) MEN1KMT2ACREBBPEP300ICAM1
SCHEMBL4309447 0.80 CREBBP (0.59) MEN1KMT2ACREBBPEP300ICAM1
SCHEMBL22165283 0.78 ICAM1 (0.39) MEN1KMT2ACREBBPEP300ICAM1
SCHEMBL23647809 0.78 ICAM1 (0.39) MEN1KMT2ACREBBPEP300ICAM1
SCHEMBL7975649 0.78 MEN1 (0.44) MEN1KMT2ACREBBPEP300ICAM1
SCHEMBL22334887 0.78 MEN1 (0.47) MEN1KMT2ACREBBPICAM1SELE
SCHEMBL4311192 0.78 CREBBP (0.44) MEN1KMT2ACREBBPEP300ICAM1

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 MEN1 2081/4885KMT2A 2939/4885CREBBP 4868/4885

“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.