SCHEMBL589663

SCHEMBL589663

O=[N+]([O-])c1ccc(O)c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 4/20 1.00
TDP1 Q9NUW8 2/20 0.61
ALDH1A1 P00352 4/20 0.59
MAPT P10636 3/20 0.59
CASP6 P55212 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
LMNA P02545 2/20 0.59
KDM4E B2RXH2 1/20 0.59
NPC1 O15118 1/20 0.59
BRD4 O60885 1/20 0.59
HSP90AA1 P07900 1/20 0.59
CHRM1 P11229 1/20 0.59
DRD2 P14416 1/20 0.59
ALOX12 P18054 1/20 0.59
ADRA2B P18089 1/20 0.59
ADRA2C P18825 1/20 0.59
CHRM3 P20309 1/20 0.59
HTR2C P28335 1/20 0.59
CTH P32929 1/20 0.59
PTGS2 P35354 1/20 0.59

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
Methoxymethane SCHEMBL7777573 0.93 CTSB (0.86) CTSBTDP1ALDH1A1MAPTCASP6
Benzoic Acid SCHEMBL20788024 0.88 CTSB (0.77) CTSBTDP1ALDH1A1MAPTCASP6
SCHEMBL2769398 0.88 CTSB (0.78) CTSBTDP1ALDH1A1MAPTCASP6
SCHEMBL7788656 0.87 TDP1 (0.80) CTSBTDP1ALDH1A1MAPTCASP6
SCHEMBL5528271 0.83 CTSB (0.69) CTSBTDP1ALDH1A1MAPTCASP6
SCHEMBL1774360 0.82 CTSB (0.67) CTSBTDP1ALDH1A1MAPTCASP6
SCHEMBL11058082 0.81 CTSB (0.68) CTSBTDP1ALDH1A1MAPTCASP6
SCHEMBL28978906 0.81 CTSB (0.68) CTSBTDP1ALDH1A1MAPTCASP6
SCHEMBL28307479 0.80 CTSB (0.67) CTSBTDP1ALDH1A1MAPTCASP6
SCHEMBL17058720 0.79 CTSB (0.65) CTSBTDP1ALDH1A1MAPTCASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114106341-B Comb copolymer, preparation method and application thereof 广州立邦涂料有限公司 2025-05-02 CN claimed
CN-116751162-B Quinoline compound, preparation method thereof, pharmaceutical composition and medical application 中国人民解放军军事科学院军事医学研究院 2025-02-28 CN claimed
CN-119297188-A Preparation method of nanosheet-organic active molecule-catalyst hybrid material and application of nanosheet-organic active molecule-catalyst hybrid material in photoelectric storage integrated battery 中国科学院大连化学物理研究所 2025-01-10 CN claimed
US-12163968-B2 Preparation of nucleated RBC (NRBC) analogs for use as reference hematology controls in automated hematology analyzers BIO-RAD LABORATORIES, INC. (US) 2024-12-10 US claimed
CN-118479475-A Preparation method of millimeter-sized spherical activated carbon with controllable specific surface area and porosity and millimeter-sized spherical activated carbon 深圳大学 2024-08-13 CN claimed
CN-114369011-B New green method for preparing 2-diaryl methyl substituted-1-naphthol compound 湖南理工学院 2024-07-09 CN claimed
CN-117263826-A Preparation method of MXene-organic molecule hybrid material and application of MXene-organic molecule hybrid material in photoelectric storage integrated battery 中国科学院大连化学物理研究所 2023-12-22 CN claimed
CN-116751162-A Quinoline compound, preparation method thereof, pharmaceutical composition and medical application 中国人民解放军军事科学院军事医学研究院 2023-09-15 CN claimed
CN-116253644-A Method for preparing 4-nitro-1-naphthol by dynamic tubular reactor 山东兴文工业技术研究院有限公司 2023-06-13 CN claimed
CN-114563502-A Method for synchronously and quantitatively determining concentrations of various aromatic compounds and metabolites in urine 广东工业大学 2022-05-31 CN claimed
EP-1513828-A1 NEW COMPOUNDS USEFUL FOR THE TREATMENT OF OBESITY, TYPE II DIABETES AND CNS DISORDERS Biovitrum AB (SE) 2005-03-16 EP claimed
US-20040024210-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2004-02-05 US claimed
WO-2004000828-A1 NEW COMPOUNDS USEFUL FOR THE TREATMENT OF OBESITY, TYPE II DIABETES AND CNS DISORDERS BIOVITRUM AB (SE) 2003-12-31 WO claimed
EP-0345551-B1 EASILY FLOWABLE DELAYED CRYSTALLISING POLYARYLENE SULFIDE-MIXTURES BAYER AG (DE) 1993-09-08 EP claimed
EP-0252402-B1 PROCESS FOR THE PREPARATION OF (2,2)-PARACYCLOPHANE AND DERIVATIVES THEREOF Montedison S.p.A. (IT) 1990-05-09 EP claimed
US-4816608-A CATALYTIC HOFFMAN ELIMINATION OF P-METHYLBENZYLTRIMETHYL AMMONIUM HYDROXIDE MONTEDISON S.P.A. (IT) 1989-03-28 US claimed
EP-0252402-A1 Process for the preparation of (2,2)-paracyclophane and derivatives thereof Montedison S.p.A. (IT) 1988-01-13 EP claimed
US-4196112-A ADDUCT OF A BUTADIENE POLYMER AN A,B-ACID, A CARBOCYCLIC ALCOHOL GELATION INHIBITOR, A HYDROPHILIC SOLVENT, A NEUTRALIZER NIPPON OIL CO., LTD. (JP) 1980-04-01 US claimed
US-4175068-A ADDUCT OF BUTADIENE AND UNSATURATED DICARBOXYLIC ACID, NEUTRALIZER NIPPON OIL CO., LTD. (JP) 1979-11-20 US claimed
US-3952023-A Method for preparing adduct of butadiene polymer or copolymer and α, β-ethylenically unsaturated dicarboxylic acid compound NIPPON OIL COMPANY LTD. (JA) 1976-04-20 US claimed

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-20040024210-A1 New compounds SULT1E1, SULT2A1, SULT1A1 CTSB 1005/4885TDP1 3728/4885ALDH1A1 705/4885

“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.