SCHEMBL4679934

SCHEMBL4679934

C=CCOC(=O)OCCCC(=O)OCc1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 3/20 0.40
FFAR1 O14842 2/20 0.40
TP53 P04637 2/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
MEN1 O00255 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
MIF P14174 1/20 0.38
GAA P10253 1/20 0.38
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL4680464 0.91 ALDH1A1 (0.45) ALDH1A1MAPK1L3MBTL1KMT2AFFAR1
SCHEMBL159668 0.86 SMN1; SMN2 (0.50) ALDH1A1FFAR1TP53TSHRSMN1; SMN2
SCHEMBL4680444 0.85 ALDH1A1 (0.44) ALDH1A1MAPK1L3MBTL1KMT2AFFAR1
SCHEMBL4683108 0.82 ALDH1A1 (0.42) ALDH1A1MAPK1L3MBTL1KMT2AFFAR1
SCHEMBL4681298 0.80 ALDH1A1 (0.48) ALDH1A1MAPK1L3MBTL1KMT2AFFAR1
SCHEMBL18782519 0.80 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1KMT2AFFAR1
SCHEMBL18381104 0.80 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1KMT2AFFAR1
SCHEMBL31329304 0.79 ALOX5 (0.55) ALDH1A1L3MBTL1KMT2ATP53TSHR
SCHEMBL18381100 0.78 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1KMT2AFFAR1
SCHEMBL5353557 0.78 ALDH1A1 (0.42) ALDH1A1MAPK1L3MBTL1KMT2AFFAR1

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 7 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
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-7230023-B2 Water-soluble triazole fungicide SANKYO COMPANY, LIMITED (JP) 2007-06-12 US 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 1619/4885MAPK1 610/4885L3MBTL1 2686/4885

“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.