SCHEMBL3225684

SCHEMBL3225684

CC(=O)OCc1ccc([O])cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
CYP3A4 P08684 1/20 0.51
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
CA2 P00918 1/20 0.42
IDH1 O75874 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL132773 0.91 ALDH1A1 (0.78) ALDH1A1CYP3A4KMT2AMEN1CA2
SCHEMBL126492 0.84 ALDH1A1 (0.69) ALDH1A1CYP3A4KMT2AMEN1CA2
SCHEMBL10604973 0.84 ALDH1A1 (0.69) ALDH1A1CYP3A4KMT2AMEN1CA2
SCHEMBL11315920 0.84 ALDH1A1 (0.69) ALDH1A1CYP3A4KMT2AMEN1CA2
SCHEMBL4198688 0.84 ALDH1A1 (0.69) ALDH1A1CYP3A4KMT2AMEN1CA2
SCHEMBL873414 0.83 ALDH1A1 (0.67) ALDH1A1CYP3A4CA2MAPT
SCHEMBL7669070 0.83 ALDH1A1 (0.67) ALDH1A1CYP3A4KMT2AMEN1CA2
SCHEMBL10017478 0.83 ALDH1A1 (0.67) ALDH1A1CYP3A4KMT2AMEN1CA2
SCHEMBL7184720 0.83 ALDH1A1 (0.67) ALDH1A1CYP3A4KMT2AMEN1CA2
P-Xylene SCHEMBL9685877 0.83 ALDH1A1 (0.67) ALDH1A1CYP3A4CA2MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056623-A1 FUMAGILLOL DERIVATIVES OR METHOD FOR PREPARATION OF FUMAGILLOL DERIVATIVES, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2010-03-04 US claimed
EP-1841761-A4 FUMAGILLOL DERIVATIVES OR METHOD FOR PREPARATION OF FUMAGILLOL DERIVATIVES, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARM CORP (KR) 2008-10-29 EP claimed
EP-1841761-A1 FUMAGILLOL DERIVATIVES OR METHOD FOR PREPARATION OF FUMAGILLOL DERIVATIVES, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2007-10-10 EP claimed
WO-2006080591-A1 FUMAGILLOL DERIVATIVES OR METHOD FOR PREPARATION OF FUMAGILLOL DERIVATIVES, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2006-08-03 WO claimed
US-20100056623-A1 FUMAGILLOL DERIVATIVES OR METHOD FOR PREPARATION OF FUMAGILLOL DERIVATIVES, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2010-03-04 US 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-20100056623-A1 FUMAGILLOL DERIVATIVES OR METHOD FOR PREPARATION OF FUMAGILLOL DERIVATIVES, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME FAH, FH, ALDH1A2 ALDH1A1 269/4885CYP3A4 1265/4885KMT2A 2218/4885

“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.