SCHEMBL2016551

SCHEMBL2016551

CC(Cl)C(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
TDP1 Q9NUW8 2/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KMT2A Q03164 1/20 0.53
ELANE P08246 1/20 0.49
LMNA P02545 2/20 0.49
HCAR2 Q8TDS4 1/20 0.49
ATM Q13315 1/20 0.48
CTSB P07858 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
CTSK P43235 1/20 0.46
SLC15A1 P46059 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
SCHEMBL9557590 1.00 ALDH1A1 (0.60) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL18328108 1.00 ALDH1A1 (0.60) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
Ammonia Solution, Strong SCHEMBL27848530 0.98 ALDH1A1 (0.58) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL11130049 0.84 ALDH1A1 (0.47) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL8534374 0.84 ALDH1A1 (0.64) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL12640200 0.84 ALDH1A1 (0.64) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL939536 0.84 ALDH1A1 (0.64) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL112859 0.84 ALDH1A1 (0.64) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL21162728 0.84 ALDH1A1 (0.50) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL21843047 0.83 ALDH1A1 (0.58) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116284530-B Preparation method and application of butyl rubber 山东京博中聚新材料有限公司 2024-06-07 CN claimed
CN-116284530-A Preparation method and application of butyl rubber 山东京博中聚新材料有限公司 2023-06-23 CN claimed
CN-102977134-A Preparation method of carbapenem intermediate beta-methyl-ADC-8 ASYMCHEM LAB TIANJIN CO LTD 2013-03-20 CN claimed
JP-5229997-A None JP disclosed
WO-2024128040-A1 ACTIVE-RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, RESIST FILM, PATTERN FORMATION METHOD, AND ELECTRONIC DEVICE PRODUCTION METHOD 富士フイルム株式会社 2024-06-20 WO disclosed
CN-116284530-B Preparation method and application of butyl rubber 山东京博中聚新材料有限公司 2024-06-07 CN disclosed
CN-116284530-A Preparation method and application of butyl rubber 山东京博中聚新材料有限公司 2023-06-23 CN disclosed
WO-2023028364-A1 TARGETED COMPOSITIONS AND USES THEROF SEPELO THERAPEUTICS, LLC (US) 2023-03-02 WO disclosed
US-20210017206-A1 PYRIDINONE AND PYRIMIDINONE PHOSPHATES AND BORONATES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. 2021-01-21 US disclosed
EP-3765027-A1 PYRIDINONE AND PYRIMIDINONE PHOSPHATES AND BORONATES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc (US) 2021-01-20 EP disclosed
CN-111867600-A Pyridone and pyrimidone phosphates and borates as antibacterial agents 辉瑞大药厂 2020-10-30 CN disclosed
EP-0252713-B1 INDOLINONE DERIVATIVES PFIZER INC. (US) 1990-09-12 EP disclosed
EP-0252713-A1 Indolinone derivatives PFIZER INC. (US) 1988-01-13 EP disclosed
US-4710581-A Nucleophilic substitution process ETHYL CORPORATION (US) 1987-12-01 US disclosed
US-4581463-A Nucleophilic substitution process combined with additional reaction steps ETHYL CORPORATION (US) 1986-04-08 US disclosed
EP-0077662-B1 PREPARATION OF NITROARYLACETIC ACID ESTERS AND DERIVATIVES THEREOF ETHYL CORPORATION (US) 1985-10-02 EP disclosed
US-4511729-A Nucleophilic substitution process ETHYL CORPORATION (US) 1985-04-16 US disclosed
US-4476315-A NITROARYLACETIC ACID ESTERS FROM NITROAROMATIC COMPOUNDS ETHYL CORPORATION (US) 1984-10-09 US disclosed
EP-0077662-A1 Preparation of nitroarylacetic acid esters and derivatives thereof ETHYL CORPORATION (US) 1983-04-27 EP disclosed
US-3970678-A Organotin mercaptide process CINCINNATI MILACRON CHEMICALS, INC. (US) 1976-07-20 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 (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-20210017206-A1 PYRIDINONE AND PYRIMIDINONE PHOSPHATES AND BORONATES USEFUL AS ANTIBACTERIAL AGENTS PNPO, PRXL2A, BPGM ALDH1A1 3255/4885TDP1 3188/4885MAPK1 1218/4885

“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.