SCHEMBL29370576

SCHEMBL29370576

CC(C)Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(=O)OC(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.65
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.40
FBP1 P09467 1/20 0.38
MAPT P10636 3/20 0.38
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 3/20 0.37
MITF O75030 1/20 0.36
CCR6 P51684 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALOX15 P16050 2/20 0.36
ALOX12 P18054 2/20 0.36
GPR35 Q9HC97 2/20 0.35
CYP1A2 P05177 2/20 0.35
CRHBP P24387 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
SCHEMBL6384309 0.84 TDP1 (0.65) TDP1ALDH1A1KMT2AMEN1LMNA
SCHEMBL11651853 0.80 TDP1 (0.46) TDP1ALDH1A1KMT2AMEN1LMNA
SCHEMBL11649287 0.80 TDP1 (0.43) TDP1ALDH1A1KMT2AMEN1LMNA
SCHEMBL14906 0.79 TDP1 (1.00) TDP1ALDH1A1KMT2AMEN1LMNA
SCHEMBL29413979 0.79 TDP1 (1.00) TDP1ALDH1A1KMT2AMEN1LMNA
SCHEMBL27469667 0.79 TDP1 (0.63) TDP1ALDH1A1KMT2AMEN1LMNA
Hydrogen Sulfide SCHEMBL28307249 0.78 TDP1 (0.98) TDP1ALDH1A1KMT2AMEN1LMNA
SCHEMBL162187 0.77 TDP1 (0.83) TDP1ALDH1A1KMT2AMEN1LMNA
Formic Acid SCHEMBL15401615 0.75 TDP1 (0.91) TDP1ALDH1A1KMT2AMEN1LMNA
SCHEMBL5933992 0.74 TDP1 (0.47) TDP1ALDH1A1KMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119227584-B Rocket stage separation large-range component maneuver high-dynamic flow field simulation method 北京宇航系统工程研究所 2025-03-25 CN claimed
CN-119227584-A Rocket stage separation large-range component maneuver high-dynamic flow field simulation method 北京宇航系统工程研究所 2024-12-31 CN claimed
CN-115850219-A Eupatorin open-chain polymer, preparation method and application 三峡大学 2023-03-28 CN claimed
CN-115567373-A Breaker circuit breaking method and module for Raft consensus algorithm 浪潮软件集团有限公司 2023-01-03 CN claimed
US-11436030-B2 Modular Java manager performing capturing and overriding of access check failures for inter-module operations between Java modules by an agent using inserted instrumentation CISCO TECHNOLOGY, INC. (US) 2022-09-06 US claimed
CN-113268427-B Crash analysis method and system for binary program 中国电子科技网络信息安全有限公司 2022-03-29 CN claimed
CN-114200317-A SOC estimation method of dynamically corrected ampere-hour integration method 一汽奔腾轿车有限公司 2022-03-18 CN claimed
EP-4743903-A2 SYSTEM AND METHOD FOR AUTOMATED UNIT TEST GENERATION FOR PROGRAMMING SOURCE CODE CloudBlue LLC (US) 2026-05-20 EP disclosed
CN-122064885-A Medical image display method and device, electronic equipment and storage medium 蓝网科技股份有限公司 2026-05-19 CN disclosed
EP-4735353-A1 EMBEDDED DIGITAL ID SOLUTIONS FOR TRACKING AND MANAGING RECYCLING Yamine, Alexander (US) 2026-05-06 EP disclosed
US-12608299-B2 System and method for automated unit test generation for programming source code CLOUDBLUE LLC (US) 2026-04-21 US disclosed
EP-4719385-A2 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINES AS ANTI-INFECTIOUS AGENTS University of Vermont and State Agricultural College (US) 2026-04-08 EP disclosed
US-20260079110-A1 Polar-Azimuth Spectral Imaging and Analysis Device with Modular Sample Stage FLORIDA POLYTECHNIC UNIV (US) 2026-03-19 US disclosed
CN-114385175-A Code generation method and device, electronic equipment and storage medium 武汉斗鱼鱼乐网络科技有限公司 2022-04-22 CN disclosed
CN-114371901-A Method and system for self-defining attribute adaptation format of interface control 福建天晴在线互动科技有限公司 2022-04-19 CN disclosed
CN-113268427-B Crash analysis method and system for binary program 中国电子科技网络信息安全有限公司 2022-03-29 CN disclosed
US-20220092135-A1 Portable Universal Profile Apparatuses, Processes and Systems Content Directions, Inc. dba Linkstorm 2022-03-24 US disclosed
CN-114200317-A SOC estimation method of dynamically corrected ampere-hour integration method 一汽奔腾轿车有限公司 2022-03-18 CN disclosed
CN-108614702-B Byte code optimization method and device 阿里巴巴集团控股有限公司 2022-02-11 CN disclosed
US-20220035625-A1 METHODS AND A SYSTEM FOR INTERFACE EXTENSIONS NCR VOYIX CORPORATION 2022-02-03 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 (2 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-12608299-B2 System and method for automated unit test generation for programming source code SART3, POP1, DDX6 TDP1 282/4885ALDH1A1 4082/4885KMT2A 3304/4885
US-20260079110-A1 Polar-Azimuth Spectral Imaging and Analysis Device with Modular Sample Stage RPTOR, MAP2K1, PAX3 TDP1 4300/4885ALDH1A1 4664/4885KMT2A 2395/4885

“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.