SCHEMBL3545784

SCHEMBL3545784

COC(=O)c1cc(OC)c(OC)c(OCC(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
CYP3A4 P08684 3/20 0.48
CYP2C19 P33261 2/20 0.48
TSHR P16473 2/20 0.47
USP2 O75604 1/20 0.47
SLC29A1 Q99808 1/20 0.45
ALDH1A1 P00352 1/20 0.44
THRB P10828 1/20 0.44
MAPT P10636 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
TUBB1 Q9H4B7 1/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL5204737 0.91 TSHR (0.51) KDM4EKMT2AMEN1CYP3A4CYP2C19
SCHEMBL3545381 0.87 TPMT (0.55) KDM4EKMT2AMEN1CYP3A4CYP2C19
SCHEMBL16533323 0.82 MAPT (0.59) KDM4EKMT2AMEN1CYP3A4CYP2C19
SCHEMBL4275295 0.82 MAPT (0.59) KDM4EKMT2AMEN1CYP3A4CYP2C19
Methyl Syringate SCHEMBL211747 0.82 MEN1 (0.61) KDM4EKMT2AMEN1CYP3A4TSHR
SCHEMBL3576601 0.78 LMNA (0.57) KDM4EKMT2AMEN1TSHRALDH1A1
SCHEMBL4042062 0.78 KDM4E (0.50) KDM4EKMT2AMEN1CYP3A4TSHR
SCHEMBL2713784 0.77 L3MBTL1 (0.40) KDM4ECYP3A4CYP2C19ALDH1A1MAPT
SCHEMBL5205202 0.77 TPMT (0.54) KMT2AMEN1CYP3A4CYP2C19TSHR
SCHEMBL10614697 0.77 KDM4E (0.49) KDM4EKMT2AMEN1CYP3A4TSHR

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-7691843-B2 N-hydroxyamide derivatives possessing antibacterial activity PFIZER INC. (US) 2010-04-06 US disclosed
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity VICURON HOLDINGS LLC 2008-03-06 US disclosed
EP-1539744-A4 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARM INC (US) 2007-06-06 EP disclosed
EP-1539744-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2005-06-15 EP disclosed
WO-2004007444-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS, INC. (US) 2004-01-22 WO 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-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity AMDHD2, OGA, ENGASE KDM4E 2323/4885KMT2A 1078/4885MEN1 3834/4885

“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.