SCHEMBL1361623

SCHEMBL1361623

O=C(CBr)c1cccc(O)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.59
PTPN1 P18031 5/20 0.59
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA6 P23280 1/20 0.57
CA9 Q16790 1/20 0.57
PARP1 P09874 1/20 0.55
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 1/20 0.55
EGLN2 Q96KS0 1/20 0.52
CTNNB1 P35222 1/20 0.49
FASN P49327 1/20 0.48
CLK1 P49759 1/20 0.47
DYRK1A Q13627 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45

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
SCHEMBL30517873 1.00 GSK3B (0.59) GSK3BPTPN1CA12CA1CA2
SCHEMBL9409741 0.87 GSK3B (0.70) GSK3BPTPN1KDM4E
Ethyl Acetate SCHEMBL31220759 0.84 GSK3B (0.44) GSK3BPTPN1CA12CA1CA2
SCHEMBL6259203 0.81 CTNNB1 (0.55) CA12CA1CA2CA6CA9
SCHEMBL108054 0.81 CA12 (0.59) CA12CA1CA2CA6CA9
SCHEMBL30497947 0.81 CA12 (0.59) CA12CA1CA2CA6CA9
SCHEMBL7392363 0.80 L3MBTL1 (0.53) CA12CA1CA2CA6CA9
SCHEMBL16787644 0.79 GSK3B (0.59) GSK3BPTPN1
SCHEMBL13305139 0.79 CA12 (0.57) CA12CA1CA2CA6CA9
SCHEMBL620024 0.79 ALDH1A1 (0.59) GSK3BCA12CA1CA2CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117486739-A Preparation method of impurities in phenylephrine hydrochloride bulk drug 武汉武药制药有限公司 2024-02-02 CN claimed
US-20250257058-A1 COMPOSITIONS AND METHODS FOR INHIBITING CARP-1 BINDING TO NEMO US GOV VETERANS AFFAIRS (US) 2025-08-14 US disclosed
US-20250134907-A1 FUSED DIAZEPINES AS AGONISTS OF THE INSULIN-LIKE 3 (INSL3) PEPTIDE RECEPTOR RXFP2 AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2025-05-01 US disclosed
US-12247029-B2 Heterocyclic compounds as class II phosphoinositide 3-kinase inhibitors FORSCHUNGSVERBUND BERLIN E.V. (DE) 2025-03-11 US disclosed
CN-119192174-A Novel biphenyl carboxylic FXR agonist, preparation method thereof and application thereof as medicine 广东药科大学 2024-12-27 CN disclosed
WO-2024161371-A1 SUBSTITUTED AZOLES THEIR USE IN THE TREATMENT OF DISEASES ASSOCIATED WITH ALPHA-1 -ANTITRYPSIN (A1AT) DEFICIENCY GT GAIN THERAPEUTICS SA (CH) 2024-08-08 WO disclosed
EP-3802530-B1 HETEROCYCLIC COMPOUNDS AS CLASS II PHOSPHOINOSITIDE 3-KINASE INHIBITORS FORSCHUNGSVERBUND BERLIN EV (DE) 2024-05-29 EP disclosed
CN-117486739-A Preparation method of impurities in phenylephrine hydrochloride bulk drug 武汉武药制药有限公司 2024-02-02 CN disclosed
WO-2023154197-A1 FUSED DIAZEPINES AS AGONISTS OF THE INSULIN-LIKE 3 (INSL3) PEPTIDE RECEPTOR RXFP2 AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-08-17 WO disclosed
WO-2023101326-A1 NOVEL COMPOUND AS AUTOTAXIN INHIBITOR AND USE THEREOF 주식회사 넥스트젠바이오사이언스 2023-06-08 WO disclosed
US-4908386-A Pharmaceuticals GLAXO GROUP LIMITED (GB) 1990-03-13 US disclosed
EP-0300074-A1 Processes and intermediates useful in the preparation of Cis 1,3,4,6,7 llb-Hexa-hydro-7-aryl-2H-pyrazino[2,1-a]isoquinolines PENNWALT CORPORATION (US) 1989-01-25 EP disclosed
US-4772705-A Processes for the preparation of trans 1,3,4,6,7,11b-hexahydro-7-aryl-2H-pyrazinol[2,1-a]isoquinolines PENNWALT CORPORATION (US) 1988-09-20 US disclosed
EP-0220054-A2 Ethanolamine derivatives GLAXO GROUP LIMITED (GB) 1987-04-29 EP disclosed
EP-0063808-B1 PHOTOGRAPHIC ELEMENTS CONTAINING NONDIFFUSIBLE 6-(2-THIENYLAZO)-3-PYRIDINOL CYAN DYE-RELEASING COMPOUNDS EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1985-09-18 EP disclosed
US-4396546-A Photographic products and processes employing novel nondiffusible 6-(2-thienylazo)-3-pyridinol cyan dye-releasing compounds and precursors thereof EASTMAN KODAK COMPANY (US) 1983-08-02 US disclosed
US-4385104-A METAL COORDINATION COMPLEX EASTMAN KODAK COMPANY (US) 1983-05-24 US disclosed
EP-0063808-A1 Photographic elements containing nondiffusible 6-(2-thienylazo)-3-pyridinol cyan dye-releasing compounds EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1982-11-03 EP disclosed
US-4346161-A DIFFUSION TRANSFER EASTMAN KODAK COMPANY (US) 1982-08-24 US disclosed
EP-0007205-A1 Optically active phenethanolamines, their formulations, use and preparation ELI LILLY AND COMPANY (US) 1980-01-23 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 (3 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-20250134907-A1 FUSED DIAZEPINES AS AGONISTS OF THE INSULIN-LIKE 3 (INSL3) PEPTIDE RECEPTOR RXFP2 AND METHODS OF USE THEREOF RXFP3, RXFP4, RXFP2 GSK3B 3606/4885PTPN1 3956/4885CA12 2330/4885
US-12247029-B2 Heterocyclic compounds as class II phosphoinositide 3-kinase inhibitors PIK3CA, PIK3CD, PIK3C2B GSK3B 331/4885PTPN1 523/4885CA12 4850/4885
US-20250257058-A1 COMPOSITIONS AND METHODS FOR INHIBITING CARP-1 BINDING TO NEMO PELI1, MALT1, MCTS1 GSK3B 3192/4885PTPN1 80/4885CA12 4164/4885

“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.