SCHEMBL443248

SCHEMBL443248

CCOC(C)(C#N)OCC

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.30
TSHR P16473 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
SCHEMBL6796446 0.87
Sulfuric Acid SCHEMBL28304211 0.86 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL2076631 0.77
SCHEMBL12714297 0.77
SCHEMBL10953310 0.72
SCHEMBL10964050 0.72
SCHEMBL28819302 0.69 ACHE (0.30)
SCHEMBL27984544 0.69 ALDH1A1 (0.30) ALDH1A1TSHR
SCHEMBL27766577 0.69
SCHEMBL22115649 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109912454-A The synthetic method of 3- ethoxy propylene nitrile and 3,3- diethoxy propionitrile mixture 南京欧信医药技术有限公司 2019-06-21 CN claimed
CN-105399646-B A kind of cytosine intermediate 3, the preparation method of 3- diethoxy propionitrile 新乡学院 2018-08-24 CN claimed
CN-105399646-A Preparation method of cytosine intermediate 3,3-diethoxypropionitrile UNIV XINXIANG 2016-03-16 CN claimed
CN-102633680-B Catalyst for preparing 3,3-diethoxyl propionitrile and preparation method of catalyst UNIV LANGZHOU 2014-06-11 CN claimed
CN-102295578-B Synthetic method of 3,3-diethoxypropionitrile GANSU RES INST OF CHEMICAL INDUSTRY 2014-04-02 CN claimed
CN-102816123-A Preparation method for cytosine SHANGYU HUAKE CHEMICAL CO LTD 2012-12-12 CN claimed
CN-102633680-A Catalyst for preparing 3,3-diethoxyl propionitrile and preparation method of catalyst UNIV LANGZHOU 2012-08-15 CN claimed
CN-102295578-A Synthetic method of 3,3-diethoxypropionitrile 2011-12-28 CN claimed
US-12215100-B2 Anticancer compounds PHARMA MAR, S.A. (ES) 2025-02-04 US disclosed
EP-4017844-B1 COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF INFECTIOUS DISEASES AND CANCER AC BIOSCIENCE SA (CH) 2024-01-24 EP disclosed
EP-3898613-B1 ANTICANCER COMPOUNDS PHARMA MAR SA (ES) 2023-08-09 EP disclosed
US-20220306587-A1 COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF INFECTIOUS DISEASES AND CANCER AC BIOSCIENCE SA (CH) 2022-09-29 US disclosed
EP-4017844-A1 COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF INFECTIOUS DISEASES AND CANCER AC BioScience SA (CH) 2022-06-29 EP disclosed
CN-114555567-A Compounds and their use for the treatment of infectious diseases and cancer AC生命科学有限公司 2022-05-27 CN disclosed
US-7030112-B2 Pyrrolopyridazine compounds and methods of use thereof for the treatment of proliferative disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2006-04-18 US disclosed
CN-1243027-C Polymerization process KANEGAFUCHI CHEMICAL IND (JP) 2006-02-22 CN disclosed
WO-2005030144-A2 PYRROLOPYRIDAZINE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-07 WO disclosed
US-20040209886-A1 Pyrrolopyridazine compounds and methods of use thereof for the treatment of proliferative disorders BRISTOL-MYERS SQUIBB COMPANY 2004-10-21 US disclosed
CN-1314813-A Novel isoxazolinone antibacterial agent BRISTOL MYERS SQUIBB CO (US) 2001-09-26 CN disclosed
CN-1303396-A Polymerization method KANEGAFUCHI CHEMICAL IND (JP) 2001-07-11 CN 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-20040209886-A1 Pyrrolopyridazine compounds and methods of use thereof for the treatment of proliferative disorders PCNA, DPYD, MALT1 ALDH1A1 544/4885TSHR 3274/4885
US-20220306587-A1 COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF INFECTIOUS DISEASES AND CANCER SGPL1, SPHK1, S1PR1 ALDH1A1 381/4885TSHR 2940/4885
US-12215100-B2 Anticancer compounds TP53, MCL1, MYC ALDH1A1 795/4885TSHR 4635/4885

“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.