SCHEMBL4680763

SCHEMBL4680763

C=CCOC(=O)C(CCC(=O)O)OC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
BLM P54132 1/20 0.37
SLC6A3 Q01959 1/20 0.37
MEN1 O00255 1/20 0.37
CYP2D6 P10635 1/20 0.37
NFKB1 P19838 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
FOLH1 Q04609 4/20 0.33
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32

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
SCHEMBL4685072 0.86 TDP1 (0.36) TSHRTDP1CYP3A4MAPTUSP2
SCHEMBL1268708 0.80 ALDH1A1 (0.41) FOLH1GABRPGABRDGABRA1GABRB1
SCHEMBL10011565 0.77 TDP1 (0.41) TSHRTDP1CYP3A4MAPTSMN1; SMN2
SCHEMBL8909065 0.76 CYP1A2 (0.50) TSHRSLC6A2SLC6A4BLMSLC6A3
SCHEMBL4676717 0.75 TSHR (0.44) TSHRBLMTDP1CYP3A4MAPT
Hydrochloric Acid SCHEMBL6867002 0.75 FOLH1 (0.34) TSHRSLC6A2SLC6A4BLMSLC6A3
SCHEMBL28897504 0.75 FOLH1 (0.51) FOLH1GABRPGABRDGABRA1GABRB1
SCHEMBL18280861 0.74 TET2 (0.48) TSHRSLC6A2SLC6A4BLMSLC6A3
SCHEMBL18280854 0.74 TET2 (0.48) TSHRSLC6A2SLC6A4BLMSLC6A3
SCHEMBL18280853 0.74 TET2 (0.48) TSHRSLC6A2SLC6A4BLMSLC6A3

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 6 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-7230023-B2 Water-soluble triazole fungicide SANKYO COMPANY, LIMITED (JP) 2007-06-12 US 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 TSHR 2685/4885SLC6A2 1106/4885SLC6A4 1623/4885

“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.