SCHEMBL4683969

SCHEMBL4683969

C=CCOC(=O)CCC(=O)OCc1ccccc1C(=O)Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.50
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 6/20 0.44
TSHR P16473 3/20 0.44
HSD17B10 Q99714 2/20 0.44
NPSR1 Q6W5P4 1/20 0.42
LIG1 P18858 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 2/20 0.34
HTT P42858 2/20 0.34
CASP3 P42574 2/20 0.34
SENP8 Q96LD8 2/20 0.34
SENP7 Q9BQF6 2/20 0.34
SENP6 Q9GZR1 2/20 0.34
TP53 P04637 1/20 0.34
RHOA P61586 1/20 0.34
MEN1 O00255 2/20 0.33

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
SCHEMBL4680922 0.86 CYP3A4 (0.53) CYP3A4PKMSMN1; SMN2ALDH1A1TSHR
SCHEMBL14066485 0.76 CYP3A4 (0.46) CYP3A4PKMSMN1; SMN2ALDH1A1TSHR
SCHEMBL11064051 0.76 PKM (0.57) CYP3A4PKMSMN1; SMN2ALDH1A1TSHR
SCHEMBL7717932 0.74 CYP3A4 (0.53) CYP3A4PKMSMN1; SMN2ALDH1A1TSHR
SCHEMBL11428658 0.74 SMN1; SMN2 (0.41) CYP3A4PKMSMN1; SMN2ALDH1A1HSD17B10
Ammonia Solution, Strong SCHEMBL7270155 0.74 ALDH1A1 (0.44) CYP3A4PKMSMN1; SMN2ALDH1A1TSHR
Benzene SCHEMBL28110883 0.73 PKM (0.59) CYP3A4PKMSMN1; SMN2ALDH1A1TSHR
SCHEMBL4680143 0.72 CYP3A4 (0.54) CYP3A4PKMSMN1; SMN2ALDH1A1TSHR
SCHEMBL28343391 0.72 ALDH1A1 (0.52) CYP3A4SMN1; SMN2ALDH1A1TSHRHSD17B10
SCHEMBL2161892 0.72 GABRA1 (0.44) CYP3A4SMN1; SMN2ALDH1A1TSHRHSD17B10

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 6 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
CN-100349569-C Water-soluble triazole fungicide SANKYO CO (JP) 2007-11-21 CN disclosed
US-7230023-B2 Water-soluble triazole fungicide SANKYO COMPANY, LIMITED (JP) 2007-06-12 US disclosed
CN-1720913-A Water-soluble triazole fungicide SANKYO CO (JP) 2006-01-18 CN 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 CYP3A4 87/4885PKM 3312/4885SMN1; SMN2 4222/4885

“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.