SCHEMBL4685231

SCHEMBL4685231

C=CCOP(=O)(OCC=C)OCc1c(Cl)cccc1C(=O)Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.39
CYP1A2 P05177 1/20 0.39
CXCR5 P32302 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
LIG1 P18858 1/20 0.35
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
TSHR P16473 2/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AKR1B1 P15121 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 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
SCHEMBL4681082 0.90 TSHR (0.40) HPGDCYP1A2CXCR5CYP3A4ALDH1A1
SCHEMBL4683552 0.86 ALDH1A1 (0.40) HPGDCYP3A4ALDH1A1SMN1; SMN2LIG1
SCHEMBL4684955 0.86 CXCR5 (0.36) HPGDCYP1A2CXCR5CYP3A4ALDH1A1
SCHEMBL4683233 0.84 CTSD (0.39) HPGDCYP3A4ALDH1A1SMN1; SMN2LIG1
SCHEMBL4680553 0.81 SMN1; SMN2 (0.36) HPGDCYP1A2CXCR5ALDH1A1SMN1; SMN2
SCHEMBL4681144 0.78 CYP3A4 (0.35) CYP3A4ALDH1A1SMN1; SMN2LIG1TSHR
SCHEMBL4679839 0.74 CXCR5 (0.39) HPGDCYP1A2CXCR5CYP3A4ALDH1A1
SCHEMBL4681424 0.74 ALB (0.39) CYP3A4ALDH1A1SMN1; SMN2LIG1TSHR
SCHEMBL4684488 0.72 SMN1; SMN2 (0.41) HPGDCYP3A4ALDH1A1SMN1; SMN2LIG1
SCHEMBL4681901 0.72 KAT6A (0.34) HPGDCYP3A4ALDH1A1SMN1; SMN2TDP1

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 HPGD 2083/4885CYP1A2 14/4885CXCR5 2523/4885

“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.