SCHEMBL4683552

SCHEMBL4683552

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
ALOX15 P16050 1/20 0.40
CYP3A4 P08684 1/20 0.36
LIG1 P18858 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
KAT6A Q92794 4/20 0.34
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
SGMS2 Q8NHU3 1/20 0.31
RAB9A P51151 2/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
CES2 O00748 1/20 0.30
BCHE P06276 1/20 0.30
CES1 P23141 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
SCHEMBL4681424 0.89 ALB (0.39) ALDH1A1CYP3A4LIG1TDP1KAT6A
SCHEMBL4685231 0.86 HPGD (0.39) ALDH1A1CYP3A4LIG1TDP1TSHR
SCHEMBL4684955 0.85 CXCR5 (0.36) ALDH1A1CYP3A4LIG1KAT6ATSHR
SCHEMBL4683233 0.83 CTSD (0.39) ALDH1A1CYP3A4LIG1HSD17B10KMT2A
SCHEMBL4681901 0.81 KAT6A (0.34) ALDH1A1ALOX15CYP3A4TDP1KAT6A
SCHEMBL4680657 0.78 MMP9 (0.40) ALDH1A1CYP3A4TDP1KMT2ATP53
SCHEMBL4681144 0.77 CYP3A4 (0.35) ALDH1A1CYP3A4LIG1TSHRHSD17B10
SCHEMBL4681082 0.76 TSHR (0.40) ALDH1A1CYP3A4LIG1TSHRHSD17B10
SCHEMBL4683621 0.75 TSHR (0.32) CYP3A4LIG1KAT6ATSHRL3MBTL1
SCHEMBL4686526 0.75 TSHR (0.32) CYP3A4LIG1KAT6ATSHRL3MBTL1

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 ALDH1A1 1619/4885ALOX15 2999/4885CYP3A4 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.