SCHEMBL4533581

SCHEMBL4533581

COCCOc1cc(OCCOC)c(Br)c(OCCOC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A4 P31645 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
INPPL1 O15357 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PLAU P00749 1/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
EGFR P00533 1/20 0.34
ILK Q13418 1/20 0.34
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
MAPK1 P28482 1/20 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
SCHEMBL8420025 0.79 ALDH1A1 (0.45) ALDH1A1POLBMAPTTDP1KDM4E
SCHEMBL19384236 0.78 KDM4E (0.38) ALDH1A1SLC6A4KDM4EEGFRMAPK1
SCHEMBL1346543 0.78 SOD1 (0.39) ALDH1A1SLC6A4KDM4EEGFRFBP1
SCHEMBL4523979 0.78 TAAR1 (0.40) L3MBTL1ALDH1A1MEN1KMT2ASLC6A4
SCHEMBL17431922 0.78 SYK (0.37) L3MBTL1FBP1
SCHEMBL14823684 0.76 SLC6A4 (0.46) L3MBTL1ALDH1A1MEN1KMT2ASLC6A4
SCHEMBL24156669 0.75 TSHR (0.37) KDM4EFBP1KDM1A
SCHEMBL3475322 0.75 ALDH1A1 (0.41) L3MBTL1ALDH1A1POLBMAPTTDP1
SCHEMBL22219086 0.75 ALDH1A1 (0.41) L3MBTL1ALDH1A1POLBMAPTTDP1
SCHEMBL4364410 0.73 KDM4E (0.41) L3MBTL1ALDH1A1SLC6A4MAPTTDP1

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
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US disclosed
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 EP disclosed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 US disclosed
WO-2006050843-A1 AMINOQUINAZOLINES COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-18 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 (2 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-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors PTPN5, PTPN1, PTPN7 L3MBTL1 4442/4885ALDH1A1 1591/4885MEN1 4622/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 L3MBTL1 4442/4885ALDH1A1 1591/4885MEN1 4622/4885

“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.