SCHEMBL8622947

SCHEMBL8622947

O=[N+]([O-])c1cc2ccccc2c2ccccc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.76
TDP1 Q9NUW8 2/20 0.67
TSHR P16473 1/20 0.67
CASP6 P55212 1/20 0.65
ALDH1A1 P00352 3/20 0.59
CYP3A4 P08684 1/20 0.59
MAPT P10636 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CTSB P07858 2/20 0.53
SIRT2 Q8IXJ6 1/20 0.49
CDK2 P24941 1/20 0.48
RAB9A P51151 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HNF4A P41235 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
S1PR4 O95977 1/20 0.46
S1PR1 P21453 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL28660711 0.88 HPRT1 (0.66) HPRT1TDP1TSHRCASP6ALDH1A1
SCHEMBL710252 0.86 HPRT1 (1.00) HPRT1TDP1TSHRCASP6ALDH1A1
SCHEMBL11330582 0.86 TDP1 (0.61) HPRT1TDP1TSHRCASP6ALDH1A1
SCHEMBL29450700 0.86 HPRT1 (1.00) HPRT1TDP1TSHRCASP6ALDH1A1
SCHEMBL30878647 0.86 HPRT1 (1.00) HPRT1TDP1TSHRCASP6ALDH1A1
Charcoal, Activated SCHEMBL5052441 0.85 HPRT1 (0.96) HPRT1TDP1TSHRCASP6ALDH1A1
SCHEMBL18600587 0.85 HPRT1 (0.62) HPRT1TDP1TSHRCASP6ALDH1A1
SCHEMBL6245129 0.85 HPRT1 (0.78) HPRT1TDP1TSHRCASP6ALDH1A1
SCHEMBL7918825 0.82 HPRT1 (0.58) HPRT1TDP1TSHRCASP6ALDH1A1
SCHEMBL30496200 0.81 ALDH1A1 (0.61) HPRT1TDP1TSHRCASP6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113960220-B Synchronous detection method and application of polycyclic aromatic hydrocarbon and derivatives thereof in blood 生态环境部华南环境科学研究所 2022-03-04 CN claimed
CN-113960220-A Synchronous detection method and application of polycyclic aromatic hydrocarbon and derivatives thereof in blood 生态环境部华南环境科学研究所 2022-01-21 CN claimed
CN-105203621-A Application of nitrogen-doped carbon point to analysis of micro-molecular environmental pollutants UNIV SHANXI 2015-12-30 CN claimed
EP-4263724-B1 PROCESS FOR PRODUCING CARBON BLACKS WITH REDUCED POLYCYCLIC AROMATIC HYDROCARBON CONTENT UTILIZING SUPERCRITICAL FLUID EXTRACTION ORION ENG CARBONS IP GMBH & CO KG (DE) 2026-04-15 EP disclosed
CN-121450637-A Immobilized microbial inoculum and application thereof in carbon fixation and decontamination 南京农业大学 2026-02-03 CN disclosed
US-20250268926-A1 METHOD AND COMPOSITION FOR TREATING, ALLEVIATING OR PREVENTING A DISEASE OR CONDITION CAUSED BY AIR POLLUTANT HONG KONG BAPTIST UNIVERSITY (CN) 2025-08-28 US disclosed
US-20250241937-A1 CANCER CELL PROLIFERATION SUPPRESSION AGENT AND COMPOSITION FOR SUPPRESSING PROLIFERATION OF CANCER CELLS RESONAC CORPORATION (JP) 2025-07-31 US disclosed
WO-2025124901-A1 PROCESS FOR PRODUCING PURIFIED CARBON BLACKS WITH REDUCED CONTENT OF OXIDIZED POLYCYCLIC AROMATIC HYDROCARBONS ORION ENGINEERED CARBONS IP GMBH & CO. KG (DE) 2025-06-19 WO disclosed
WO-2025098667-A1 ALKALINE CARBON BLACK, PREPARATION THEREOF AND COMPOSITIONS AND ARTICLES CONTAINING THE SAME ORION ENGINEERED CARBONS IP GMBH & CO. KG (DE) 2025-05-15 WO disclosed
EP-4549505-A1 ALKALINE CARBON BLACK, PREPARATION THEREOF AND COMPOSITIONS AND ARTICLES CONTAINING THE SAME Orion Engineered Carbons GmbH (DE) 2025-05-07 EP disclosed
EP-3970799-B1 INOSITOL DERIVATIVE FOR SUPPRESSING PROLIFERATION OF CANCER CELLS RESONAC CORP (JP) 2024-12-11 EP disclosed
WO-2020230741-A1 CANCER CELL PROLIFERATION SUPPRESSION AGENT AND COMPOSITION FOR SUPPRESSING PROLIFERATION OF CANCER CELLS 昭和電工株式会社 2020-11-19 WO disclosed
CN-110215914-B Zeolite imidazole framework material ZIF-8-based solid-phase microextraction fiber and preparation method and application thereof 南京大学 2020-08-04 CN disclosed
CN-111138313-A Schiff base compound with aggregation-induced emission characteristic and method for preparing ratiometric fluorescent probe by using Schiff base compound 广东药科大学 2020-05-12 CN disclosed
CN-110231206-A The pre-treating method of persistence organic pollutant in a kind of quick measurement Atmospheric particulates 北京化工大学 2019-09-13 CN disclosed
CN-110215914-A A kind of solid-phase micro-extraction fibre and the preparation method and application thereof based on zeolite imidazole skeleton material ZIF-8 南京大学 2019-09-10 CN disclosed
CN-105392778-A Polycyclic compound and organic light emitting device using the same HEESUNG MAT LTD 2016-03-09 CN disclosed
CN-105203621-A Application of nitrogen-doped carbon point to analysis of micro-molecular environmental pollutants UNIV SHANXI 2015-12-30 CN disclosed
US-5780250-A Immunoassay standards for polyaromatic hydrocarbon detection STRATEGIC DIAGNOSTICS, INC. (US) 1998-07-14 US disclosed
WO-1997031267-A1 IMMUNOASSAY STANDARDS FOR POLYAROMATIC HYDROCARBON DETECTION STRATEGIC DIAGNOSTICS, INC. (US) 1997-08-28 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 (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-20250241937-A1 CANCER CELL PROLIFERATION SUPPRESSION AGENT AND COMPOSITION FOR SUPPRESSING PROLIFERATION OF CANCER CELLS MKI67, PPIP5K2, IMPA1 HPRT1 710/4885TDP1 4048/4885TSHR 2632/4885

“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.