SCHEMBL16267346

SCHEMBL16267346

O=C1c2ccc(I)cc2C(=O)c2ccc(I)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
TGM2 P21980 1/20 0.50
CES1 P23141 1/20 0.50
ESR1 P03372 1/20 0.50
UGT1A1 P22309 1/20 0.50
ESR2 Q92731 1/20 0.50
CASP3 P42574 3/20 0.47
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ELANE P08246 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.43
CDC25B P30305 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
SCHEMBL21224167 0.94 TGM2 (0.50) MAOAMAOBTGM2CES1ESR1
SCHEMBL1795929 0.94 TGM2 (0.50) MAOAMAOBTGM2CES1ESR1
SCHEMBL6449287 0.93 MEN1 (0.57) MAOAMAOBTGM2CES1ESR1
SCHEMBL1795673 0.91 MEN1 (0.55) MAOACES1CASP3NPC1RAB9A
SCHEMBL1963896 0.89 S100A4 (0.50) MAOAMAOBTGM2CES1ESR1
SCHEMBL14041417 0.87 NPC1 (0.67) MAOAMAOBTGM2CES1ESR1
SCHEMBL13819441 0.87 S100A4 (0.61) MAOAMAOBTGM2CES1ESR1
SCHEMBL13818956 0.87 ELANE (0.67) MAOAMAOBTGM2CES1ESR1
SCHEMBL745377 0.85 PTPRC (0.59) MAOACES1NPC1RAB9AALDH1A1
SCHEMBL14838621 0.85 MEN1 (0.55) MAOATGM2CES1CASP3NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250118786-A1 LONG-LIVED REDOX-ACTIVE MOLECULES WITH LOW REDOX POTENTIAL HARVARD COLLEGE (US) 2025-04-10 US disclosed
CN-114105893-B Electrolyte based on amino acid derivative and application of electrolyte in flow battery 西湖大学 2024-10-18 CN disclosed
EP-4387954-A1 LONG-LIVED REDOX-ACTIVE MOLECULES WITH LOW REDOX POTENTIAL President and Fellows of Harvard College (US) 2024-06-26 EP disclosed
WO-2023023303-A1 LONG-LIVED REDOX-ACTIVE MOLECULES WITH LOW REDOX POTENTIAL PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-02-23 WO disclosed
WO-2022042735-A1 PHENAZINE DERIVATIVE-BASED ELECTROLYTE AND APPLICATION THEREOF IN FLOW BATTERY 西湖大学 2022-03-03 WO disclosed
CN-114105893-A Electrolyte based on amino acid derivatives and application thereof in flow batteries 西湖大学 2022-03-01 CN disclosed
US-9087996-B2 Fluorine-containing aromatic compound and production method thereof ASAHI GLASS COMPANY, LIMITED (JP) 2015-07-21 US disclosed
US-20140357873-A1 FLUORINE-CONTAINING AROMATIC COMPOUND AND PRODUCTION METHOD THEREOF AGC Inc. (JP) 2014-12-04 US disclosed
CN-104114521-A Fluorine-containing aromatic compound and method for producing same ASAHI GLASS CO LTD 2014-10-22 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 (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-20250118786-A1 LONG-LIVED REDOX-ACTIVE MOLECULES WITH LOW REDOX POTENTIAL GPX4, GPX1, NOX4 MAOA 466/4885MAOB 926/4885TGM2 957/4885

“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.