SCHEMBL4398296

SCHEMBL4398296

O=C(OC(=O)c1cc(Br)cc(Br)c1O)c1cc(C(=O)OC(=O)c2cc(Br)cc(Br)c2O)cc(C(=O)OC(=O)c2cc(Br)cc(Br)c2O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C4 P17516 1/20 0.56
AKR1C3 P42330 1/20 0.56
AKR1C2 P52895 1/20 0.56
AKR1C1 Q04828 1/20 0.56
MEN1 O00255 4/20 0.45
HTT P42858 4/20 0.45
KMT2A Q03164 4/20 0.45
LMNA P02545 4/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
EGFR P00533 1/20 0.45
ERBB2 P04626 1/20 0.45
CYP1A2 P05177 1/20 0.45
LCK P06239 1/20 0.45
CYP2C9 P11712 1/20 0.45
PTGS1 P23219 1/20 0.45
MAPK1 P28482 1/20 0.45
MAPK14 Q16539 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL29683626 1.00 AKR1C4 (0.56) AKR1C4AKR1C3AKR1C2AKR1C1MEN1
SCHEMBL8055907 0.95 AKR1C3 (0.51) AKR1C4AKR1C3AKR1C2AKR1C1MEN1
SCHEMBL8057769 0.85 AKR1C4 (0.42) AKR1C4AKR1C3AKR1C2AKR1C1MEN1
SCHEMBL8055952 0.85 AKR1C4 (0.42) AKR1C4AKR1C3AKR1C2AKR1C1MEN1
SCHEMBL11119474 0.84 AKR1C4 (0.47) AKR1C4AKR1C3AKR1C2AKR1C1MEN1
SCHEMBL11117678 0.81 HSPD1 (0.48) AKR1C4AKR1C3AKR1C2AKR1C1MEN1
SCHEMBL11117667 0.81 NPC1 (0.46) AKR1C4AKR1C3AKR1C2AKR1C1MEN1
SCHEMBL8372190 0.81 AKR1C4 (0.55) AKR1C4AKR1C3AKR1C2AKR1C1MEN1
SCHEMBL8372186 0.81 AKR1C4 (0.55) AKR1C4AKR1C3AKR1C2AKR1C1MEN1
SCHEMBL17627594 0.78 AKR1C4 (0.60) AKR1C4AKR1C3AKR1C2AKR1C1MEN1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023632-A1 Hemoglobin-haptoglobin complexes HEMOSOL, INC. (CA) 2009-01-22 US claimed
US-20030013642-A1 Hemoglobin-haptoglobin complexes HEMOSOL, INC. 2003-01-16 US claimed
EP-0669940-B1 SPECIFICALLY CROSSLINKED HEMOGLOBIN WITH FREE FUNCTIONALITY UNIV TORONTO (CA) 1999-02-10 EP claimed
US-5399671-A Specifically crosslinked hemoglobin with free functionality UNIVERSITY OF TORONTO INNOVATIONS FOUNDATION, THE (CA) 1995-03-21 US claimed
US-11793787-B2 Methods and compositions for enhancing anti-tumor immunity by targeting steroidogenesis THE BROAD INSTITUTE, INC. (US) 2023-10-24 US disclosed
US-11576978-B2 Hemoglobin-based therapeutic agents Cheer Global Limited (CN) 2023-02-14 US disclosed
US-11298407-B2 Hemoglobin based oxygen carrier and method of preparation THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2022-04-12 US disclosed
US-20210015935-A1 HEMOGLOBIN-BASED THERAPEUTIC AGENTS Cheer Global Limited (HK) 2021-01-21 US disclosed
WO-2018053634-A1 HEMOGLOBIN BASED OXYGEN CARRIER AND METHOD OF PREPARATION THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2018-03-29 WO disclosed
US-20120213732-A1 TARGETED DELIVERY OF ANTIVIRAL COMPOUNDS THROUGH HEMOGLOBIN BIOCONJUGATES THERAPURE BIOPHARMA INC. (CA) 2012-08-23 US disclosed
US-20090023632-A1 Hemoglobin-haptoglobin complexes HEMOSOL, INC. (CA) 2009-01-22 US disclosed
US-20070060535-A1 Targeted delivery of antiviral compounds through hemoglobin bioconjugates THERAPURE BIOPHARMA INC. (CA) 2007-03-15 US disclosed
EP-0785920-A1 MULTIFUNCTIONAL CROSS-LINKING REAGENTS FOR HEMOGLOBIN, AND CROSS-LINKED HEMOGLOBIN CONJUGATES KLUGER, Ronald (CA) 1997-07-30 EP disclosed
WO-1997000236-A1 MULTIFUNCTIONAL CROSS-LINKING REAGENTS FOR HEMOGLOBIN, AND CROSS-LINKED HEMOGLOBIN CONJUGATES KLUGER RONALD (CA) 1997-01-03 WO disclosed
EP-0669940-A1 SPECIFICALLY CROSSLINKED HEMOGLOBIN WITH FREE FUNCTIONALITY THE UNIVERSITY OF TORONTO INNOVATIONS FOUNDATION (CA) 1995-09-06 EP disclosed
EP-0669940-A1 SPECIFICALLY CROSSLINKED HEMOGLOBIN WITH FREE FUNCTIONALITY THE UNIVERSITY OF TORONTO INNOVATIONS FOUNDATION (CA) 1995-09-06 EP disclosed
US-5399671-A Specifically crosslinked hemoglobin with free functionality UNIVERSITY OF TORONTO INNOVATIONS FOUNDATION, THE (CA) 1995-03-21 US disclosed
US-5399671-A Specifically crosslinked hemoglobin with free functionality UNIVERSITY OF TORONTO INNOVATIONS FOUNDATION, THE (CA) 1995-03-21 US disclosed
WO-1994011399-A1 SPECIFICALLY CROSSLINKED HEMOGLOBIN WITH FREE FUNCTIONALITY KLUGER RONALD (CA) 1994-05-26 WO disclosed
WO-1994011399-A1 SPECIFICALLY CROSSLINKED HEMOGLOBIN WITH FREE FUNCTIONALITY KLUGER RONALD (CA) 1994-05-26 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 (5 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-20120213732-A1 TARGETED DELIVERY OF ANTIVIRAL COMPOUNDS THROUGH HEMOGLOBIN BIOCONJUGATES HAVCR2, FCGR3B, CD68 AKR1C4 906/4885AKR1C3 385/4885AKR1C2 1142/4885
US-20070060535-A1 Targeted delivery of antiviral compounds through hemoglobin bioconjugates HAVCR2, FCGR3B, CD68 AKR1C4 906/4885AKR1C3 385/4885AKR1C2 1142/4885
US-20210015935-A1 HEMOGLOBIN-BASED THERAPEUTIC AGENTS HBG1, HBG2, HBB AKR1C4 3538/4885AKR1C3 3817/4885AKR1C2 3251/4885
US-11576978-B2 Hemoglobin-based therapeutic agents HBG1, HBG2, HBB AKR1C4 3538/4885AKR1C3 3817/4885AKR1C2 3251/4885
US-11298407-B2 Hemoglobin based oxygen carrier and method of preparation HBZ, HBB, HBG2 AKR1C4 703/4885AKR1C3 867/4885AKR1C2 651/4885

“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.