SCHEMBL4686145

SCHEMBL4686145

C=CCOP(=O)(OCC=C)OCc1cc(F)ccc1C(=O)OCc1ccc(OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RXFP1 Q9HBX9 1/20 0.38
HTR2A P28223 2/20 0.38
ALDH1A1 P00352 1/20 0.36
THRB P10828 1/20 0.36
MMP9 P14780 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MMP1 P03956 1/20 0.36
LMNA P02545 1/20 0.36
FLT3 P36888 2/20 0.36
MMP2 P08253 1/20 0.35
MMP12 P39900 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL4683687 0.92 KMT2A (0.41) KMT2ANPC1RAB9ASMN1; SMN2RXFP1
SCHEMBL4679431 0.86 MMP9 (0.36) RAB9AALDH1A1MMP9MMP1FLT3
SCHEMBL4683499 0.83 DHODH (0.42) KMT2ANPC1SMN1; SMN2RXFP1ALDH1A1
SCHEMBL4680016 0.81 MMP9 (0.41) KMT2ANPC1RAB9ARXFP1ALDH1A1
SCHEMBL4680657 0.80 MMP9 (0.40) KMT2AALDH1A1THRBMMP9KDM4E
SCHEMBL4686753 0.80 POLB (0.35) RAB9AALDH1A1MMP9MMP1MMP2
SCHEMBL4683332 0.80 ALDH1A1 (0.38) KMT2ANPC1SMN1; SMN2RXFP1ALDH1A1
SCHEMBL4681403 0.79 KDM4E (0.38) KMT2ANPC1RAB9ASMN1; SMN2RXFP1
SCHEMBL4680325 0.79 TSHR (0.36) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL4686526 0.78 TSHR (0.32) SMN1; SMN2MAPT

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 KMT2A 2939/4885NPC1 1507/4885RAB9A 1921/4885

“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.