SCHEMBL819043

SCHEMBL819043

CC(=Nc1ccccc1C(C)(C)C)c1cccc(C(C)=Nc2ccccc2C(C)(C)C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
CA2 P00918 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
TSHR P16473 2/20 0.37
KDM4E B2RXH2 3/20 0.36
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
AGTR1 P30556 2/20 0.33
ALOX12 P18054 2/20 0.33

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
SCHEMBL31465572 1.00 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29494130 1.00 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5354758 1.00 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28374465 0.98 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL818887 0.97 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL3824137 0.97 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29695697 0.94 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15840501 0.93 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4425088 0.93 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4425093 0.93 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117024354-B Preparation method of Rui Mi Buti Ni 天津凯莱英制药有限公司 2023-12-08 CN claimed
CN-117024354-A Preparation method of Rui Mi Buti Ni 天津凯莱英制药有限公司 2023-11-10 CN claimed
CN-117024354-B Preparation method of Rui Mi Buti Ni 天津凯莱英制药有限公司 2023-12-08 CN disclosed
CN-117049999-A Preparation method of Nemactetvir intermediate 重庆博腾制药科技股份有限公司 2023-11-14 CN disclosed
CN-117024354-A Preparation method of Rui Mi Buti Ni 天津凯莱英制药有限公司 2023-11-10 CN disclosed
WO-2023151188-A1 GREEN SYNTHESIS METHOD OF ANTIVIRAL DRUG INTERMEDIATE 上海皓元医药股份有限公司 2023-08-17 WO disclosed
CN-115385984-A Peptide-like derivative, preparation method and application 北京科翔中升医药科技有限公司 2022-11-25 CN disclosed
CN-114671798-B Green synthesis method of antiviral drug intermediate 上海皓元医药股份有限公司 2022-08-16 CN disclosed
CN-114671798-A Green synthesis method of antiviral drug intermediate 上海皓元医药股份有限公司 2022-06-28 CN disclosed
CN-114057627-B Preparation method of hepatitis C and neocorolla drug intermediate and salt thereof 南京桦冠生物技术有限公司 2022-04-01 CN disclosed
CN-114057627-A Preparation method of hepatitis C and neocorolla drug intermediate and salt thereof 南京桦冠生物技术有限公司 2022-02-18 CN disclosed
WO-2005103095-A1 POLYETHYLENE AND CATALYST COMPOSITION FOR ITS PREPARATION BASELL POLYOLEFINE GMBH (DE) 2005-11-03 WO disclosed
US-20050059786-A1 Process for the co-oligomerisation of ethylene and alpha olefins DE BOER ERIC JOHANNES MARIA (NL) 2005-03-17 US disclosed
US-20040087434-A1 Chromium catalysts active in olefin polymerization REPSOL QUIMICA, S.A. (ES) 2004-05-06 US disclosed
EP-1325924-A1 Chromium catalysts active in olefin polymerisation REPSOL QUIMICA S.A. (ES) 2003-07-09 EP disclosed
EP-1325925-A1 Chromium catalysts active in olefin polymerization REPSOL QUIMICA S.A. (ES) 2003-07-09 EP disclosed
EP-1322576-A2 PROCESS FOR THE CO-OLIGOMERISATION OF ETHYLENE AND ALPHA OLEFINS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2003-07-02 EP disclosed
US-20020128409-A1 Process for the co-oligomerisation of ethylene and alpha olefins SHELL OIL COMPANY 2002-09-12 US disclosed
WO-2002028805-A2 PROCESS FOR THE CO-OLIGOMERISATION OF ETHYLENE AND ALPHA OLEFINS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2002-04-11 WO disclosed
EP-1059313-A1 Transition metal catalyst component for polymerization, aromatic vinyl compound-olefin copolymer and process for its production by means of the catalyst component DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2000-12-13 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 (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-20040087434-A1 Chromium catalysts active in olefin polymerization CBR1, SCO2, CBR3 GRIN2D 3369/4885GRIN3B 2635/4885GRIN1 2030/4885

“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.