SCHEMBL498989

SCHEMBL498989

COc1ccc(C=O)cc1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.64
TSHR P16473 1/20 0.64
FDPS P14324 1/20 0.51
HPGD P15428 2/20 0.50
AOX1 Q06278 1/20 0.50
TRIM24 O15164 1/20 0.50
ALDH5A1 P51649 1/20 0.50
ABAT P80404 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TRIM33 Q9UPN9 1/20 0.50
TTR P02766 1/20 0.48
POLB P06746 1/20 0.46
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL30504088 1.00 ALDH1A1 (0.64) ALDH1A1TSHRFDPSHPGDAOX1
SCHEMBL22428 0.94 ALDH1A1 (0.64) ALDH1A1TSHRFDPSHPGDAOX1
SCHEMBL30360260 0.92 ALDH1A1 (0.50) ALDH1A1TSHRFDPSHPGDAOX1
SCHEMBL36740 0.92 ALDH1A1 (0.50) ALDH1A1TSHRFDPSHPGDAOX1
SCHEMBL9707833 0.85 ALDH1A1 (0.57) ALDH1A1TSHRFDPSHPGDAOX1
SCHEMBL25365134 0.84 TRPA1 (0.50) ALDH1A1TSHRHPGDTDP1TTR
SCHEMBL9707829 0.83 ALDH1A1 (0.54) ALDH1A1TSHRFDPSHPGDAOX1
SCHEMBL3116390 0.83 ALDH1A1 (0.43) ALDH1A1TSHRFDPSHPGDAOX1
SCHEMBL3857336 0.83 ALDH1A1 (0.43) ALDH1A1TSHRFDPSHPGDAOX1
SCHEMBL29234008 0.83 ALDH1A1 (0.43) ALDH1A1TSHRFDPSHPGDAOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6943194-B1 Synthesis of phenstatin and prodrugs thereof ARIZONA BOARD OF REGENTS, ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2005-09-13 US claimed
EP-1045689-A4 SYNTHESIS OF PHENSTATIN AND PRODRUGS THEREOF UNIV ARIZONA STATE (US) 2003-04-23 EP claimed
JP-2002500184-A 2002-01-08 JP claimed
EP-1045689-A1 SYNTHESIS OF PHENSTATIN AND PRODRUGS THEREOF ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA acting for and on behalf of ARIZONA STATE UNIVERSITY (US) 2000-10-25 EP claimed
WO-1999034788-A1 SYNTHESIS OF PHENSTATIN AND PRODRUGS THEREOF ARIZONA BOARD OF REGENTS, A BODY CORPORATE, ACTING ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 1999-07-15 WO claimed
EP-4676937-A1 METHODS OF SYNTHESIZING FLUORINATED MACROCYCLES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2026-01-14 EP disclosed
WO-2024191821-A1 METHODS OF SYNTHESIZING FLUORINATED MACROCYCLES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-09-19 WO disclosed
CN-116535304-A Erianin analogue, and synthetic method and application thereof 中国科学院成都生物研究所 2023-08-04 CN disclosed
US-20220251039-A1 Diaryl-B-Lactam Compound and Preparation Method and Pharmaceutical Use Thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2022-08-11 US disclosed
EP-3438105-B1 DIARYL- -LACTAM COMPOUND AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF UNIV FUDAN (CN) 2022-01-05 EP disclosed
EP-3438105-B1 DIARYL- -LACTAM COMPOUND AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF UNIV FUDAN (CN) 2022-01-05 EP disclosed
CN-107235883-B Diaryl-beta-lactam compound, preparation method thereof and application thereof in pharmacy 复旦大学 2021-06-29 CN disclosed
WO-2004099139-A1 INDOLE-CONTAINING COMPOUNDS WITH ANTI-TUBULIN AND VASCULAR TARGETING ACTIVITY BAYLOR UNIVERSITY (US) 2004-11-18 WO disclosed
EP-1461311-A2 UREA DERIVATIVES AS VR1-ANTAGONISTS Bayer HealthCare AG (DE) 2004-09-29 EP disclosed
US-20040143023-A1 Materials and methods for synthesizing stilbenes HADFIELD JOHN ANTHONY (GB) 2004-07-22 US disclosed
US-6593374-B2 Such as 3-(3'4'5'-trimethoxybenzoyl)-2-(3'benzylphosphate 4'methoxyphenyl)-6-methoxybenzo(b)thiophene; functionalized to prepare phosphate esters, phosphate salts, and phosphoramidates useful as antitumor agents BAYLOR UNIVERSITY 2003-07-15 US disclosed
WO-2003055848-A2 UREA DERIVATIVES AS VR1- ANTAGONISTS BAYER HEALTHCARE AG (DE) 2003-07-10 WO disclosed
EP-1263763-A2 TUBULIN BINDING LIGANDS AND CORRESPONDING PRODRUG CONSTRUCTS BAYLOR UNIVERSITY (US) 2002-12-11 EP disclosed
US-20020055643-A1 Tubulin binding ligands and corresponding prodrug constructs MATEON THERAPEUTICS, INC. 2002-05-09 US disclosed
WO-2001068654-A2 TUBULIN BINDING LIGANDS AND CORRESPONDING PRODRUG CONSTRUCTS BAYLOR UNIVERSITY (US) 2001-09-20 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 (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-20020055643-A1 Tubulin binding ligands and corresponding prodrug constructs TUBB, TUBB3, TUBB4A ALDH1A1 3462/4885TSHR 2797/4885FDPS 606/4885
US-20220251039-A1 Diaryl-B-Lactam Compound and Preparation Method and Pharmaceutical Use Thereof PEPD, SQLE, BACE1 ALDH1A1 1396/4885TSHR 4847/4885FDPS 21/4885
US-20040143023-A1 Materials and methods for synthesizing stilbenes DPP4, COASY, ACSL4 ALDH1A1 1344/4885TSHR 1493/4885FDPS 174/4885

“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.