SCHEMBL6512161

SCHEMBL6512161

CCOP(=O)(OCC)c1cc(OC)c(OC)c(OC)c1Br

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.42
PTPN1 P18031 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PTGS2 P35354 1/20 0.37
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
CA6 P23280 2/20 0.36
TSHR P16473 1/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
RXFP1 Q9HBX9 1/20 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
SCHEMBL6514350 0.80 L3MBTL1 (0.43) L3MBTL1SMN1; SMN2PTPN1MAPTNPSR1
SCHEMBL459755 0.78 POLB (0.38) L3MBTL1SMN1; SMN2POLBMAPTALDH1A1
SCHEMBL8951911 0.76 SMN1; SMN2 (0.41) L3MBTL1SMN1; SMN2PTPN1MAPTNPSR1
SCHEMBL6517406 0.75 L3MBTL1 (0.55) L3MBTL1MAPTPTGS2ALDH1A1GAA
SCHEMBL18480665 0.74 CA1 (0.50) SMN1; SMN2PTPN1PTGS2CA1CA2
SCHEMBL8752544 0.68 KMT2A (0.51) L3MBTL1POLBNPSR1ALDH1A1CA1
SCHEMBL13978736 0.68 ACHE (0.46) L3MBTL1SMN1; SMN2POLBMAPTNPSR1
SCHEMBL18354589 0.68 ACHE (0.46) L3MBTL1POLBMAPTNPSR1RAB9A
SCHEMBL457840 0.68 CYP3A4 (0.42) L3MBTL1SMN1; SMN2POLBALDH1A1GAA
SCHEMBL10723623 0.68 CA12 (0.46) SMN1; SMN2POLBMAPTNPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050123533-A1 Prodrugs activated by targeted catalytic proteins WELLSTAT BIOCATALYSIS, LLC 2005-06-09 US disclosed
US-6702705-B1 Prodrugs activated by targeted catalytic proteins IGEN INTERNATIONAL, INC. 2004-03-09 US disclosed
US-20030096765-A1 Prodrugs activated by targeted catalytic proteins IGEN, INC. 2003-05-22 US disclosed
US-6258360-B1 BENZOATE CONJUGATES; ANTITUMOR AGENTS IGEN INTERNATIONAL, INC. 2001-07-10 US disclosed
CN-1044911-C Process for preparing prodrug IGEN INC (US) 1999-09-01 CN disclosed
CN-1217335-A Method for preparing precursor medicine IGEN INC (US) 1999-05-26 CN disclosed
CN-1070409-A Prodrugs activated by targetted catalytic proteins IGEN INC (US) 1993-03-31 CN 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-20050123533-A1 Prodrugs activated by targeted catalytic proteins DNPH1, DNPEP, PNP L3MBTL1 3131/4885SMN1; SMN2 4221/4885PTPN1 561/4885
US-20030096765-A1 Prodrugs activated by targeted catalytic proteins DNPH1, DNPEP, PNP L3MBTL1 3131/4885SMN1; SMN2 4221/4885PTPN1 561/4885

“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.