SCHEMBL4683685

SCHEMBL4683685

C=CCOP(=O)(OCC=C)OCc1cccc(F)c1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 1/20 0.36
EP300 Q09472 1/20 0.35
KAT2B Q92831 1/20 0.35
KAT5 Q92993 1/20 0.35
KAT8 Q9H7Z6 1/20 0.35
KAT6A Q92794 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 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
SCHEMBL4681901 0.88 KAT6A (0.34) SMN1; SMN2PKMKAT6ATDP1CES2
SCHEMBL4681424 0.81 ALB (0.39) SMN1; SMN2PKMKAT6ATDP1CES2
SCHEMBL6796887 0.80 CYP3A4 (0.44) SMN1; SMN2PKMALDH1A1CYP3A4KMT2A
SCHEMBL4680016 0.78 MMP9 (0.41) TDP1L3MBTL1NPC1RAB9AALDH1A1
SCHEMBL4683633 0.77 HSD17B10 (0.41) SMN1; SMN2PKMTDP1ALDH1A1CYP3A4
SCHEMBL4683622 0.75 KEAP1 (0.38) SMN1; SMN2PKMKAT6ACES2CES1
SCHEMBL4680325 0.75 TSHR (0.36) SMN1; SMN2PKMKAT6ACES2CES1
SCHEMBL31519067 0.75 GABRA1 (0.44) EP300KAT2BKAT5KAT8TDP1
SCHEMBL8791448 0.75 PKM (0.38) SMN1; SMN2PKML3MBTL1ALDH1A1CYP3A4
SCHEMBL4683552 0.74 ALDH1A1 (0.40) SMN1; SMN2PKMKAT6ATDP1CES2

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 SMN1; SMN2 4222/4885PKM 3312/4885EP300 3217/4885

“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.