SCHEMBL6522519

SCHEMBL6522519

COc1ccc(C(OCCBr)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.49
SLC6A11 P48066 4/20 0.47
SLC6A1 P30531 2/20 0.47
KCNH2 Q12809 1/20 0.46
CA4 P22748 1/20 0.42
LTA4H P09960 2/20 0.42
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A12 P48065 1/20 0.41
SLC6A13 Q9NSD5 1/20 0.41

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
SCHEMBL10022830 1.00 KIF11 (0.49) KIF11SLC6A11SLC6A1KCNH2CA4
SCHEMBL6891571 0.90 KIF11 (0.48) KIF11SLC6A11SLC6A1KCNH2CA4
SCHEMBL18803715 0.86 KIF11 (0.52) KIF11SLC6A11SLC6A1KCNH2CA4
SCHEMBL14879264 0.86 KIF11 (0.52) KIF11SLC6A11SLC6A1KCNH2CA4
SCHEMBL4012213 0.86 KIF11 (0.63) KIF11SLC6A1
SCHEMBL2985182 0.83 KIF11 (0.49) KIF11SLC6A11SLC6A1KCNH2CA4
SCHEMBL992028 0.83 SLC6A11 (0.50) KIF11SLC6A11SLC6A1KCNH2MEN1
SCHEMBL9215766 0.83 KIF11 (0.49) KIF11SLC6A11SLC6A1KCNH2CA4
SCHEMBL16197752 0.83 KIF11 (0.50) KIF11SLC6A11SLC6A1KCNH2CA4
SCHEMBL2490823 0.83 KIF11 (0.73) KIF11SLC6A11SLC6A1KCNH2

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
EP-1261614-B1 METHOD FOR THE PRODUCTION OF PERBENZYLATED 1-O GLYCOSIDES SCHERING AG (DE) 2004-01-07 EP disclosed
US-20030096765-A1 Prodrugs activated by targeted catalytic proteins IGEN, INC. 2003-05-22 US disclosed
US-6545135-B2 Alkylation SCHERING AKTIENGESELLSCHAFT (DE) 2003-04-08 US disclosed
US-20020002274-A1 Process for the production of perbenzylated 1-0-glycosides SCHERING AKTIENGESELLSCHAFT 2002-01-03 US disclosed
US-6258360-B1 BENZOATE CONJUGATES; ANTITUMOR AGENTS IGEN INTERNATIONAL, INC. 2001-07-10 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 (3 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 KIF11 4678/4885SLC6A11 4844/4885SLC6A1 4763/4885
US-20030096765-A1 Prodrugs activated by targeted catalytic proteins DNPH1, DNPEP, PNP KIF11 4678/4885SLC6A11 4844/4885SLC6A1 4763/4885
US-20020002274-A1 Process for the production of perbenzylated 1-0-glycosides STT3B, MAN1B1, OSTC KIF11 3079/4885SLC6A11 1851/4885SLC6A1 1528/4885

“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.