SCHEMBL6448286

SCHEMBL6448286

CC(C)(C)OC(=O)NCCCC[C]=O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.64
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
GAA P10253 1/20 0.56
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
CA1 P00915 7/20 0.53
CA2 P00918 7/20 0.53
CA12 O43570 6/20 0.53
CA9 Q16790 6/20 0.53
EPHX1 P07099 1/20 0.42
HTT P42858 1/20 0.41
STK17B O94768 1/20 0.41
STK17A Q9UEE5 1/20 0.41
CYP3A4 P08684 1/20 0.40
DRD2 P14416 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL7282098 0.98 TDP1 (0.67) TDP1MEN1KMT2AGAAMAOA
SCHEMBL3240917 0.98 TDP1 (0.67) TDP1MEN1KMT2AGAAMAOA
SCHEMBL7283128 0.98 TDP1 (0.67) TDP1MEN1KMT2AGAAMAOA
SCHEMBL9215977 0.98 TDP1 (0.67) TDP1MEN1KMT2AGAAMAOA
SCHEMBL7282335 0.98 TDP1 (0.67) TDP1MEN1KMT2AGAAMAOA
SCHEMBL17372814 0.98 TDP1 (0.67) TDP1MEN1KMT2AGAAMAOA
SCHEMBL9225093 0.98 TDP1 (0.67) TDP1MEN1KMT2AGAAMAOA
SCHEMBL6650033 0.95 TDP1 (0.61) TDP1MEN1KMT2AGAAMAOA
SCHEMBL2444514 0.87 TDP1 (0.55) TDP1MEN1KMT2AGAAMAOA
SCHEMBL3020258 0.87 TDP1 (0.81) TDP1MEN1KMT2AGAAMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0255082-B1 Renin-inhibiting di- and tripeptides, methods for their production, drugs containing them, and their use HOECHST AG (DE) 1993-12-01 EP claimed
EP-0410278-A1 Renin inhibiting aminooligohydroxy-derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1991-01-30 EP claimed
EP-0394829-A1 Renin-inhibiting dipeptides, process to synthetize them, compositions containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1990-10-31 EP claimed
US-4855286-A HYPOTENSIVE AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-08 US claimed
EP-0255082-A2 Renin-inhibiting di- and tripeptides, methods for their production, drugs containing them, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1988-02-03 EP claimed
EP-0239874-A2 Substituted derivatives of 4-amino-3-hydroxy-butyric acid, process for their production, medicines containing them, and their application HOECHST AKTIENGESELLSCHAFT (DE) 1987-10-07 EP claimed
EP-0230242-A2 Substituted derivatives of 4-amino-3-hydroxy-butyric acid, process for their production, medicines containing them, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1987-07-29 EP claimed
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
US-5712417-A Inhibitors of retroviral proteases ABBOTT LABORATORIES (US) 1998-01-27 US disclosed
EP-0435059-B1 Retroviral protease inhibitors HOECHST AG (DE) 1997-11-05 EP disclosed
EP-0354522-A1 Use of alpha-aminoboronic acid derivatives in prevention and treatement of viral diseases HOECHST AKTIENGESELLSCHAFT (DE) 1990-02-14 EP disclosed
EP-0339483-A2 Renin inhbiting amino-acid derivatives MERCK PATENT GmbH (DE) 1989-11-02 EP disclosed
EP-0337334-A2 Renin-inhibiting amino acid derivatives MERCK PATENT GmbH (DE) 1989-10-18 EP disclosed
US-4855286-A HYPOTENSIVE AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-08 US disclosed
EP-0315574-A2 Renin inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1989-05-10 EP disclosed
EP-0310015-A2 Renin-inhibiting dipeptides, process for their preparation, medicines containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1989-04-05 EP disclosed
EP-0255082-A2 Renin-inhibiting di- and tripeptides, methods for their production, drugs containing them, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1988-02-03 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 TDP1 758/4885MEN1 2134/4885KMT2A 3442/4885

“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.