SCHEMBL3548569

SCHEMBL3548569

CC(C)(C)[Si](Oc1ccc(C=O)cc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
CYP2A6 P11509 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A3 P47895 1/20 0.40
PPARG P37231 1/20 0.39
MAPT P10636 3/20 0.38
TTR P02766 1/20 0.36
STS P08842 1/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 1/20 0.34

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
SCHEMBL8456921 0.92 ALDH1A1 (0.37) ALDH1A1CYP2A6SMN1; SMN2LMNAKDM4E
SCHEMBL25414124 0.84 ALDH1A1 (0.41) ALDH1A1LMNAKMT2ARAB9AMEN1
SCHEMBL4521425 0.83 MAOA (0.47) ALDH1A1CYP2A6LMNAKMT2AMAPT
SCHEMBL704145 0.82 CA4 (0.37) ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL6704403 0.82 PREP (0.32) ALDH1A1PPARGMAPT
SCHEMBL6058610 0.81 ALDH1A1 (0.31) ALDH1A1MAPT
SCHEMBL3686163 0.80 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAKDM4EPPARG
SCHEMBL27600931 0.80 CA4 (0.46) ALDH1A1LMNAKDM4EKMT2ARAB9A
SCHEMBL6058734 0.78 ALDH1A1 (0.37) ALDH1A1LMNAKDM4EKMT2AMEN1
SCHEMBL20594005 0.78

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-20090233930-A9 Novel 2-Amino-Imidazole-4-One Compounds and Their Use in the Manufacture of a Medicament to Be Used in the Treatment of Cognitive Impairment, Alzheimer's Disease, Neurodegeneration and Dementia ASTRAZENECA AB (SE) 2009-09-17 US claimed
US-20080293718-A1 Novel 2-Amino-Imidazole-4-One Compounds and Their Use in the Manufacture of a Medicament to Be Used in the Treatment of Cognitive Impairment, Alzheimer's Disease, Neurodegeneration and Dementia ASTRAZENECA AB (SE) 2008-11-27 US claimed
EP-1979324-A2 NOVEL 2-AMINO-IMIDAZOLE-4-ONE COMPOUNDS AND THEIR USE IN THE MANUFACTURE OF A MEDICAMENT TO BE USED IN THE TREATMENT OF COGNITIVE IMPAIRMENT, ALZHEIMER'S DISEASE, NEURODEGENERATION AND DEMENTIA Astra Zeneca AB (SE) 2008-10-15 EP claimed
WO-2007058602-A2 NOVEL 2-AMINO-IMIDAZOLE-4-ONE COMPOUNDS AND THEIR USE IN THE MANUFACTURE OF A MEDICAMENT TO BE USED IN THE TREATMENT OF COGNITIVE IMPAIRMENT, ALZHEIMER’S DISEASE, NEURODEGENERATION AND DEMENTIA. ASTRAZENECA AB (SE) 2007-05-24 WO claimed
US-10865218-B2 Fluoride fluorescence probe THE PROCTER & GAMBLE COMPANY (US) 2020-12-15 US disclosed
EP-3642186-A1 FLUORIDE FLUORESCENCE PROBE The Procter and Gamble Company (US) 2020-04-29 EP disclosed
CN-110785410-A Fluorine ion fluorescent probe 宝洁公司 2020-02-11 CN disclosed
US-20180370996-A1 FLUORIDE FLUORESCENCE PROBE FUDAN UNIVERSITY (CN) 2018-12-27 US disclosed
WO-2018232675-A1 FLUORIDE FLUORESCENCE PROBE THE PROCTER & GAMBLE COMPANY (US) 2018-12-27 WO disclosed
CN-105153217-A Efficient preparation method of colorimetric probe JINJIANG SHANGJING FUBEN ENVRIONMENTAL PROT TECHNOLOGY CO LTD 2015-12-16 CN disclosed
WO-2011019995-A2 SYNTHESIS AND IDENTIFICATION OF NOVEL RSK-SPECIFIC INHIBITORS HECHT SIDNEY M (US) 2011-02-17 WO disclosed
WO-2010097350-A1 A PROCESS FOR THE PREPARATION OF AN ALDEHYDE BETA-LACTAM COMPOUND ADAMED SP. Z O.O. (PL) 2010-09-02 WO disclosed
US-20050240062-A1 Structural modification of resveratrol: Sodium resverastatin phosphate NATIONAL INSTITUTES OF HEALTH 2005-10-27 US disclosed
WO-2003086414-A1 STRUCTURAL MODIFICATION OF RESVERATROL: SODIUM RESVERASTATIN PHOSPHATE ARIZONA BOARD OF REGENTS (US) 2003-10-23 WO disclosed
US-6063789-A Aminoisoquinolines and aminotheinopyridine derivatives and their use as anti-inflammatory agents ASTRA PHARMACEUTICALS, LTD. (GB) 2000-05-16 US disclosed
EP-0892784-A1 AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Astra Pharmaceuticals Limited (GB) 1999-01-27 EP disclosed
WO-1997038977-A1 AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS ASTRA PHARMACEUTICALS LTD. (GB) 1997-10-23 WO disclosed
US-5453443-A Antiallergens, antiinflammatory MERCK FROSST CANADA, INC. (CA) 1995-09-26 US disclosed
US-5232916-A Inhibitors of leukotriene synthesis MERCK FROSST CANADA, INC. (CA) 1993-08-03 US disclosed
US-5102881-A Leukotriene biosynthesis inhibitor MERCK FROSST CANADA, INC. (CA) 1992-04-07 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 (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-20180370996-A1 FLUORIDE FLUORESCENCE PROBE FLNB, AFF4, FGB ALDH1A1 3319/4885CYP2A6 4120/4885SMN1; SMN2 2030/4885
US-20050240062-A1 Structural modification of resveratrol: Sodium resverastatin phosphate PI4KB, HDAC4, PIK3CA ALDH1A1 3559/4885CYP2A6 3391/4885SMN1; SMN2 4322/4885
US-20090233930-A9 Novel 2-Amino-Imidazole-4-One Compounds and Their Use in the Manufacture of a Medicament to Be Used in the Treatment of Cognitive Impairment, Alzheimer's Disease, Neurodegeneration and Dementia PSEN2, MAPT, PSEN1 ALDH1A1 1372/4885CYP2A6 4046/4885SMN1; SMN2 111/4885
US-10865218-B2 Fluoride fluorescence probe FLNB, AFF4, FGB ALDH1A1 3319/4885CYP2A6 4120/4885SMN1; SMN2 2030/4885
US-20080293718-A1 Novel 2-Amino-Imidazole-4-One Compounds and Their Use in the Manufacture of a Medicament to Be Used in the Treatment of Cognitive Impairment, Alzheimer's Disease, Neurodegeneration and Dementia PSEN2, MAPT, PSEN1 ALDH1A1 1372/4885CYP2A6 4046/4885SMN1; SMN2 111/4885

“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.