SCHEMBL230996

SCHEMBL230996

CC(C)CC[S+]([O-])CCC(C)C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL13578488 0.85
SCHEMBL8967194 0.83
SCHEMBL8967283 0.79 ALDH1A1 (0.32) ALDH1A1
SCHEMBL9915232 0.78
SCHEMBL19202298 0.77
SCHEMBL11030115 0.77 LMNA (0.43) LMNA
SCHEMBL7882500 0.75 CA1 (0.31) CA1
SCHEMBL11959619 0.75
SCHEMBL21550878 0.75
SCHEMBL6008872 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119080614-A Production process of difluoroethyl acetate 南通宝凯药业有限公司 2024-12-06 CN claimed
EP-4368621-A1 METHOD FOR PREPARING NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUND, AND INTERMEDIATE AND USE OF COMPOUND Applied Pharmaceutical Science, Inc. (CN) 2024-05-15 EP claimed
CN-117561259-A Preparation method of nitrogen-containing polycyclic condensed ring compound, intermediate and application thereof 北京志健金瑞生物医药科技有限公司 2024-02-13 CN claimed
CN-113851761-B High reversible zinc-air battery 中国科学院青岛生物能源与过程研究所 2023-06-30 CN claimed
CN-115594678-A Preparation method of nitrogen-containing polycyclic fused ring compound, intermediate and application thereof 北京志健金瑞生物医药科技有限公司(CN) 2023-01-13 CN claimed
WO-2023280073-A1 METHOD FOR PREPARING NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUND, AND INTERMEDIATE AND USE OF COMPOUND 北京志健金瑞生物医药科技有限公司 2023-01-12 WO claimed
CN-113851761-A High reversible zinc-air battery 中国科学院青岛生物能源与过程研究所 2021-12-28 CN claimed
CN-112584866-A Application of sulfoxide compound in preventing radioactive oral mucositis and related radiotherapy complications 北京蔚蓝之源医药科技有限公司 2021-03-30 CN claimed
CN-111465633-A Aqueous composition comprising conductive polymer and use thereof 艾尼股份公司 2020-07-28 CN claimed
CN-110731954-A Application of sulfoxide compound in preventing complications of thoracic and abdominal tumor radiotherapy 北京蔚蓝之源医药科技有限公司 2020-01-31 CN claimed
CN-103687831-B Process for preparing 2, 2-difluoroethanol BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-25 CN claimed
EP-2734493-B1 PROCESS FOR PREPARING 2,2-DIFLUOROETHANOL BAYER IP GMBH (DE) 2015-08-19 EP claimed
US-8975448-B2 Process for preparing 2,2-difluoroethanol BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-10 US claimed
US-20140243561-A1 PROCESS FOR PREPARING 2,2-DIFLUOROETHANOL BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-28 US claimed
EP-2734493-A1 PROCESS FOR PREPARING 2,2-DIFLUOROETHANOL Bayer Intellectual Property GmbH (DE) 2014-05-28 EP claimed
CN-103687831-A Process for preparing 2, 2-difluoroethanol BAYER IP GMBH 2014-03-26 CN claimed
WO-2013010985-A1 PROCESS FOR PREPARING 2,2-DIFLUOROETHANOL BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-24 WO claimed
CN-1058399-A New piperidine ether and thioether as cholesteral biosynthesis inhibitor MERRELL DOW PHARMA (US) 1992-02-05 CN claimed
US-3966727-A Manufacture of phthalo-bis-guanamines BASF AKTIENGESELLSCHAFT (DT) 1976-06-29 US claimed
US-3941717-A Process for the production of a catalyst comprising a novel metal on activated carbon DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1976-03-02 US claimed

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-20140243561-A1 PROCESS FOR PREPARING 2,2-DIFLUOROETHANOL FUCA2, ADH1A, ADH1C CA1 57/4885ALDH1A1 91/4885LMNA 3594/4885

“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.