SCHEMBL93454

SCHEMBL93454

O=[C]OC1CCCCCCC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
ALDH1A1 P00352 1/20 0.36
EPHX1 P07099 2/20 0.33
ACHE P22303 1/20 0.33
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
NPC1 O15118 1/20 0.30

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
SCHEMBL2109556 1.00 CA1 (0.39) CA1CA2ALDH1A1EPHX1ACHE
SCHEMBL93215 1.00 CA1 (0.39) CA1CA2ALDH1A1EPHX1ACHE
SCHEMBL2109539 1.00 CA1 (0.39) CA1CA2ALDH1A1EPHX1ACHE
SCHEMBL9431 1.00
SCHEMBL302897 1.00 CA1 (0.39) CA1CA2ALDH1A1EPHX1ACHE
SCHEMBL93249 1.00 CA1 (0.39) CA1CA2ALDH1A1EPHX1ACHE
SCHEMBL2110868 1.00 CA1 (0.39) CA1CA2ALDH1A1EPHX1ACHE
SCHEMBL2108202 1.00 CA1 (0.39) CA1CA2ALDH1A1EPHX1ACHE
SCHEMBL2109113 1.00 CA1 (0.39) CA1CA2ALDH1A1EPHX1ACHE
SCHEMBL93204 1.00 CA1 (0.39) CA1CA2ALDH1A1EPHX1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112209967-A Chiral spiro monophosphine-oxazoline ligand and preparation method thereof 瑞博(杭州)医药科技有限公司 2021-01-12 CN claimed
CN-111909206-A Chiral spiro monophosphine ligand and preparation method thereof 浙江瑞博制药有限公司 2020-11-10 CN claimed
CN-112512529-B Cyclopentenepurine derivative or salt thereof 富士胶片株式会社 2024-06-18 CN disclosed
EP-3831388-B1 CYCLOPENTENYL PURINE DERIVATIVE OR SALT THEREOF FOR USE IN SUPPRESSING ADENOVIRUS FUJIFILM CORP (JP) 2024-02-28 EP disclosed
CN-113993719-B Trisulfide compound 住友化学株式会社 2024-01-02 CN disclosed
CN-109709770-B Resin composition, dry film and method for producing same, method for producing resist film and substrate, method for producing plated molded article, and mercapto compound 东京应化工业株式会社 2023-11-24 CN disclosed
US-20230295202-A1 CYCLOBUTYL PURINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2023-09-21 US disclosed
US-11760864-B2 Trisulfide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-09-19 US disclosed
EP-3831836-B1 CYCLOBUTYL PURINE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2023-09-06 EP disclosed
US-20230229084-A1 CHEMICALLY AMPLIFIED PHOTOSENSITIVE COMPOSITION, PHOTOSENSITIVE DRY FILM, PRODUCTION METHOD OF SUBSTRATE HAVING TEMPLATE FOR PLATING, AND PRODUCTION METHOD OF PLATED ARTICLE TOKYO OHKA KOGYO CO., LTD. (JP) 2023-07-20 US disclosed
US-11692088-B2 Rubber composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-07-04 US disclosed
EP-0436902-A1 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-07-17 EP disclosed
US-4983609-A Anticancer agents OTSUKA PHARMACEUTICAL (JP) 1991-01-08 US disclosed
US-4933355-A ALDOSE REDUCTASE INHIBITORS SANKYO COMPANY LIMITED (JP) 1990-06-12 US disclosed
EP-0337819-A1 Thiazole derivatives, their preparation and their use in the treatment of diabetes complications Sankyo Company Limited (JP) 1989-10-18 EP disclosed
US-4864021-A ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 US disclosed
US-4859759-A Siloxane containing benzotriazolyl/tetraalkylpiperidyl substituent KIMBERLY-CLARK CORPORATION (US) 1989-08-22 US disclosed
EP-0323441-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-07-05 EP disclosed
EP-0180897-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 EP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 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 (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-20230295202-A1 CYCLOBUTYL PURINE DERIVATIVE OR SALT THEREOF SLC28A1, SLC20A1, SLC29A1 CA1 1860/4885CA2 1567/4885ALDH1A1 504/4885
US-11760864-B2 Trisulfide compound TST, TMT1A, SULT1A1 CA1 2459/4885CA2 3632/4885ALDH1A1 2809/4885

“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.