SCHEMBL4683771

SCHEMBL4683771

COc1ccc(COC(=O)c2ccccc2COC(=O)CCC(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.46
FFAR4 Q5NUL3 1/20 0.46
ALDH1A1 P00352 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
MMP9 P14780 2/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP12 P39900 1/20 0.44
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.43
FABP7 O15540 1/20 0.43
FABP5 Q01469 1/20 0.43
DHODH Q02127 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL14066485 0.86 CYP3A4 (0.46) ALDH1A1TDP1MAPK1L3MBTL1CYP3A4
SCHEMBL3727515 0.84 FFAR1 (0.60) FFAR1ALDH1A1MAPK1L3MBTL1TSHR
SCHEMBL3732372 0.79 ALDH1A1 (0.59) FFAR1ALDH1A1MAPK1L3MBTL1MMP9
SCHEMBL9706812 0.78 ALDH1A1 (0.48) ALDH1A1TDP1MAPK1L3MBTL1CYP3A4
SCHEMBL4680610 0.77 CYP3A4 (0.48) ALDH1A1TDP1MAPK1L3MBTL1CYP3A4
SCHEMBL6668857 0.76 ALDH1A1 (0.59) ALDH1A1TSHRKMT2AATM
SCHEMBL30637111 0.75 MTNR1A (0.50) ALDH1A1TDP1MAPK1L3MBTL1CYP3A4
SCHEMBL5972139 0.75 FFAR1 (0.56) FFAR1FFAR4ALDH1A1MAPK1L3MBTL1
SCHEMBL22283425 0.75 TDP1 (0.71) ALDH1A1TDP1MAPK1L3MBTL1CYP3A4
SCHEMBL305162 0.75 MAPT (0.68) FFAR1FFAR4ALDH1A1TDP1L3MBTL1

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 FFAR1 1928/4885FFAR4 3374/4885ALDH1A1 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.