SCHEMBL4685072

SCHEMBL4685072

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 2/20 0.35
CYP3A4 P08684 3/20 0.31
USP2 O75604 2/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
RECQL P46063 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL4680763 0.86 TSHR (0.37) TDP1TSHRCYP3A4USP2MAPT
SCHEMBL3143929 0.76 TSHR (0.36) TDP1TSHRMAPTSMN1; SMN2ALDH1A1
SCHEMBL10011565 0.76 TDP1 (0.41) TDP1TSHRCYP3A4MAPTSMN1; SMN2
SCHEMBL4676717 0.74 TSHR (0.44) TDP1TSHRCYP3A4USP2MAPT
SCHEMBL10012821 0.72 TSHR (0.41) TDP1TSHRCYP3A4USP2MAPT
SCHEMBL28754496 0.69 TSHR (0.58) TDP1TSHRCYP3A4USP2MAPT
Chloroform SCHEMBL8600888 0.68 TDP1 (0.42) TDP1TSHRCYP3A4USP2MAPT
Butanedione SCHEMBL28785640 0.67 TSHR (0.44) TDP1TSHRCYP3A4USP2MAPT
SCHEMBL31217853 0.67 TSHR (0.47) TDP1TSHRCYP3A4USP2MAPT
SCHEMBL64376 0.67

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 TDP1 2704/4885TSHR 2685/4885CYP3A4 87/4885

“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.