SCHEMBL4680922

SCHEMBL4680922

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.53
ALDH1A1 P00352 4/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LIG1 P18858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 3/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
RHOA P61586 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
ALOX15 P16050 1/20 0.35
LMNA P02545 2/20 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
SCHEMBL4680143 0.87 CYP3A4 (0.54) CYP3A4ALDH1A1TSHRHSD17B10LIG1
SCHEMBL4683969 0.86 CYP3A4 (0.50) CYP3A4ALDH1A1TSHRHSD17B10LIG1
SCHEMBL4214260 0.80 CYP3A4 (0.49) CYP3A4ALDH1A1TSHRHSD17B10NPSR1
SCHEMBL4680890 0.78 CYP3A4 (0.35) CYP3A4ALDH1A1TSHRHSD17B10MRGPRX4
SCHEMBL16776780 0.77 IDO1 (0.46) CYP3A4ALDH1A1TSHRHSD17B10PKM
SCHEMBL4680610 0.75 CYP3A4 (0.48) CYP3A4ALDH1A1TSHRHSD17B10NPSR1
SCHEMBL166548 0.74 CYP3A4 (0.53) CYP3A4ALDH1A1TSHRHSD17B10PKM
SCHEMBL28343391 0.74 ALDH1A1 (0.52) CYP3A4ALDH1A1TSHRHSD17B10SMN1; SMN2
SCHEMBL16589882 0.74 KMT2A (0.50) CYP3A4ALDH1A1TSHRHSD17B10NPSR1
SCHEMBL164758 0.74 MAOB (0.47) CYP3A4ALDH1A1TSHRSMN1; SMN2L3MBTL1

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 CYP3A4 87/4885ALDH1A1 1619/4885TSHR 2685/4885

“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.