SCHEMBL535429

SCHEMBL535429

[CH2]COc1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.52
ALDH1A1 P00352 1/20 0.49
AOC3 Q16853 1/20 0.47
LTA4H P09960 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
NOS1 P29475 2/20 0.44
IDO1 P14902 1/20 0.42

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
SCHEMBL2096245 0.94 KIF11 (0.49) MAOBALDH1A1AOC3
SCHEMBL7751885 0.94 LTA4H (0.53) MAOBALDH1A1AOC3LTA4H
SCHEMBL1044973 0.83 LTA4H (0.50) MAOBALDH1A1AOC3LTA4HNOS1
SCHEMBL1046760 0.81 NOS1 (0.50) MAOBALDH1A1AOC3LTA4HNOS1
SCHEMBL4707838 0.80 NQO1 (0.47) MAOBLTA4HCA1CA2CA9
SCHEMBL1047648 0.79 NOS1 (0.51) MAOBALDH1A1AOC3LTA4HNOS1
SCHEMBL8778626 0.78 NOS1 (0.52) MAOBALDH1A1AOC3LTA4HNOS1
SCHEMBL1046516 0.78 NOS1 (0.52) MAOBALDH1A1AOC3LTA4HNOS1
SCHEMBL2099230 0.77 ALDH1A1 (0.53) MAOBALDH1A1AOC3LTA4HCA1
SCHEMBL2099227 0.77 ALDH1A1 (0.53) MAOBALDH1A1AOC3LTA4HCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113501774-B Method for synthesizing bromodifluoromethyl selenide compounds under metal-free condition 江苏省原子医学研究所 2023-02-28 CN claimed
CN-113501774-A Method for synthesizing bromodifluoromethyl selenide compounds under metal-free condition 江苏省原子医学研究所 2021-10-15 CN claimed
US-20240182463-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO., LTD. (JP) 2024-06-06 US disclosed
US-20240148821-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-09 US disclosed
EP-4316503-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-02-07 EP disclosed
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 US disclosed
US-20230117695-A1 ARENAVIRUS GROWTH INHIBITOR COMPRISING POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2023-04-20 US disclosed
CN-113501774-B Method for synthesizing bromodifluoromethyl selenide compounds under metal-free condition 江苏省原子医学研究所 2023-02-28 CN disclosed
US-11492352-B2 Arenavirus growth inhibitor comprising polycyclic carbamoylpyridone derivative NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2022-11-08 US disclosed
CN-113501774-A Method for synthesizing bromodifluoromethyl selenide compounds under metal-free condition 江苏省原子医学研究所 2021-10-15 CN disclosed
US-20210292321-A1 ARENAVIRUS GROWTH INHIBITOR COMPRISING POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2021-09-23 US disclosed
US-5086071-A Improved chemical stability and ppotent in vivo TORAY INDUSTRIES, INC. (JP) 1992-02-04 US disclosed
EP-0232776-B1 2,5,6,7-TETRANOR-4,8-INTER-M-PHENYLENE PGI2 DERIVATIVES TORAY INDUSTRIES, INC. (JP) 1990-10-24 EP disclosed
EP-0389162-A1 2,5,6,7-Tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1990-09-26 EP disclosed
EP-0365678-A1 2,5,6,7-TETRANOR-4,8-INTER-m-PHENYLENE PGI 2 DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1990-05-02 EP disclosed
US-4775692-A ANTILIPEMIC, ANTICOAGULANT, HYPOTENSIVE, ANTISECRETORY AND ANTIULCER AGENT TORAY INDUSTRIES, INC. (JP) 1988-10-04 US disclosed
EP-0232776-A2 2,5,6,7-tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1987-08-19 EP disclosed
US-4599335-A FUNGICIDES, BACTERICIDES BASF AKTIENGESELLSCHAFT (DE) 1986-07-08 US disclosed
EP-0026004-B1 LIQUID CRYSTALS MIXTURE BBC Aktiengesellschaft Brown, Boveri & Cie. (CH) 1983-05-18 EP disclosed
EP-0026004-A1 Liquid crystals mixture BBC Aktiengesellschaft Brown, Boveri & Cie. (CH) 1981-04-01 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 (6 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-11492352-B2 Arenavirus growth inhibitor comprising polycyclic carbamoylpyridone derivative LUC7L2, CXCR6, RRP12 MAOB 3618/4885ALDH1A1 4161/4885AOC3 2816/4885
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS MAOB 4852/4885ALDH1A1 4838/4885AOC3 4747/4885
US-20240182463-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 MAOB 694/4885ALDH1A1 1564/4885AOC3 2280/4885
US-20230117695-A1 ARENAVIRUS GROWTH INHIBITOR COMPRISING POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE CDK7, CCNA1, CCR10 MAOB 2986/4885ALDH1A1 4215/4885AOC3 2535/4885
US-20240148821-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND VIP, IAPP, KRAS MAOB 4620/4885ALDH1A1 4861/4885AOC3 4791/4885
US-20210292321-A1 ARENAVIRUS GROWTH INHIBITOR COMPRISING POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE CCNA1, CDK7, CCR10 MAOB 2966/4885ALDH1A1 4074/4885AOC3 2481/4885

“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.