SCHEMBL4809726

SCHEMBL4809726

CC(C)OC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
MAPT P10636 2/20 0.60
HTT P42858 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
KDM4E B2RXH2 1/20 0.60
LMNA P02545 1/20 0.60
TP53 P04637 1/20 0.60
HPGD P15428 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
CA1 P00915 3/20 0.59
CA2 P00918 3/20 0.59
CA12 O43570 1/20 0.59
CA7 P43166 1/20 0.59
CA9 Q16790 1/20 0.59
CA14 Q9ULX7 1/20 0.59
MAPK1 P28482 1/20 0.56
POLB P06746 1/20 0.55
CES1 P23141 1/20 0.55
PDCD1 Q15116 1/20 0.54

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
SCHEMBL9420685 0.88 ADRB2 (0.56) ALDH1A1MAPTHTTL3MBTL1KDM4E
SCHEMBL28754539 0.86 ALDH1A1 (0.53) ALDH1A1MAPTHTTL3MBTL1KDM4E
SCHEMBL16169034 0.86 MAPK1 (0.53) ALDH1A1MAPTHTTL3MBTL1KDM4E
SCHEMBL696757 0.85 L3MBTL1 (0.55) ALDH1A1MAPTHTTL3MBTL1KDM4E
SCHEMBL7139625 0.83 POLB (0.50) ALDH1A1MAPTHTTL3MBTL1KDM4E
SCHEMBL15081351 0.83 KMT2A (0.50) ALDH1A1MAPTHTTL3MBTL1KDM4E
SCHEMBL20370153 0.83 ADRB2 (0.52) ALDH1A1MAPTL3MBTL1CA1CA2
SCHEMBL11239978 0.83 L3MBTL1 (0.51) ALDH1A1MAPTHTTL3MBTL1KDM4E
SCHEMBL6748756 0.83 POLB (0.50) ALDH1A1MAPTHTTL3MBTL1KDM4E
SCHEMBL29457660 0.83 L3MBTL1 (0.60) ALDH1A1MAPTHTTL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117800857-A Preparation method of aromatic amino compound 新乡学院 2024-04-02 CN disclosed
US-20230183164-A1 Synthesis of Vinyl Cyclobutyl Intermediates AMGEN INC. (US) 2023-06-15 US disclosed
US-20230174496-A1 Synthesis of Vinylic Protected Alcohol Intermediates AMGEN INC. (US) 2023-06-08 US disclosed
US-20230167130-A1 Ring Closing Synthesis of Macrocyclic MCL-1 Inhibitor Intermediates AMGEN INC. (US) 2023-06-01 US disclosed
US-11655269-B2 Prodrug-type anticancer agent using cancer-specific enzymatic activity THE UNIVERSITY OF TOKYO (JP) 2023-05-23 US disclosed
WO-2016079759-A1 NOVEL SINGLE STEP ESTERIFICATION PROCESS OF ALDEHYDES USING A HETEROGENEOUS CATALYST COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-05-26 WO disclosed
US-7357291-B2 Solder metal, soldering flux and solder paste SHOWA DENKO K.K. (JP) 2008-04-15 US disclosed
US-20060071051-A1 Solder metal, soldering flux and solder paste SHOWA DENKO K.K. (JP) 2006-04-06 US disclosed
US-6881278-B2 Flux for solder paste SHOWA DENKO K.K. (JP) 2005-04-19 US disclosed
US-20030200836-A1 Flux for solder paste SHOWA DENKO K.K. 2003-10-30 US disclosed
WO-2003064102-A1 SOLDER METAL, SOLDERING FLUX AND SOLDER PASTE SHOWA DENKO K.K. (JP) 2003-08-07 WO disclosed
US-20020046627-A1 Solder powder, flux, solder paste, soldering method, soldered circuit board, and soldered joint product SHOWA DENKO K.K. (JP) 2002-04-25 US disclosed
US-20010042779-A1 Solder paste SHOWA DENKO KABUSHIKI KAISHA (JP) 2001-11-22 US disclosed
US-5817876-A ONE POT; REACTING AN NITROARENE WITH A CARBONYL COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1998-10-06 US disclosed
EP-0491968-A1 Process for the preparation of N-alkyl-fluoroanilines BAYER AG (DE) 1992-07-01 EP 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 (4 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-11655269-B2 Prodrug-type anticancer agent using cancer-specific enzymatic activity GUSB, NTPCR, FOLH1 ALDH1A1 168/4885MAPT 4611/4885HTT 4819/4885
US-20230174496-A1 Synthesis of Vinylic Protected Alcohol Intermediates MCL1, BCL2A1, BAK1 ALDH1A1 184/4885MAPT 3979/4885HTT 2609/4885
US-20230183164-A1 Synthesis of Vinyl Cyclobutyl Intermediates MCL1, BCL2A1, BAK1 ALDH1A1 2468/4885MAPT 4035/4885HTT 2346/4885
US-20230167130-A1 Ring Closing Synthesis of Macrocyclic MCL-1 Inhibitor Intermediates MCL1, BAK1, BCLAF1 ALDH1A1 2432/4885MAPT 3886/4885HTT 2273/4885

“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.