SCHEMBL6565569

SCHEMBL6565569

CC(C)Oc1cccc(C=O)c1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 9/20 0.66
TLR2 O60603 1/20 0.66
TLR1 Q15399 1/20 0.66
TLR6 Q9Y2C9 1/20 0.66
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
IRAK4 Q9NWZ3 1/20 0.42
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SRC P12931 2/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
ALDH1A1 P00352 3/20 0.40
AR P10275 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACHE P22303 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
SCHEMBL18196579 0.88 ERN1 (0.64) ERN1TLR2TLR1TLR6CA1
SCHEMBL28228830 0.86 ERN1 (0.62) ERN1TLR2TLR1TLR6CA1
SCHEMBL5483924 0.83 ERN1 (0.58) ERN1TLR2TLR1TLR6CA1
SCHEMBL177279 0.81 ALDH1A1 (0.55) ERN1TLR2TLR1TLR6IRAK4
SCHEMBL2811830 0.80 IRAK4 (0.48) CA1CA2IRAK4CYP1A2MAPT
SCHEMBL1748658 0.80 SRC (0.45) ERN1TLR2TLR1TLR6CA1
SCHEMBL16004 0.79 ERN1 (1.00) ERN1TLR2TLR1TLR6CA1
SCHEMBL929734 0.79 ERN1 (1.00) ERN1TLR2TLR1TLR6CA1
SCHEMBL30485148 0.79 ERN1 (1.00) ERN1TLR2TLR1TLR6CA1
SCHEMBL20764578 0.79 TLR2 (0.45) ERN1TLR2TLR1TLR6CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110997627-B Cyst amide derivatives 亥姆霍兹感染研究中心有限公司 2023-10-10 CN disclosed
US-11034648-B2 Cystobactamide derivatives HELMHOLTZ-ZENTRUM FÜR (DE) 2021-06-15 US disclosed
US-11034648-B2 Cystobactamide derivatives HELMHOLTZ-ZENTRUM FÜR (DE) 2021-06-15 US disclosed
EP-3672937-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-07-01 EP disclosed
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-06-18 US disclosed
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-06-18 US disclosed
CN-110997627-A Novel cystobacter amide derivatives 亥姆霍兹感染研究中心有限公司 2020-04-10 CN disclosed
WO-2019038405-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2019-02-28 WO disclosed
WO-2019038405-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2019-02-28 WO disclosed
EP-2673257-B1 PET/SPECT AGENTS FOR APPLICATIONS IN BIOMEDICAL IMAGING UNIV WASHINGTON (US) 2018-07-18 EP disclosed
EP-2673257-A2 PET/SPECT AGENTS FOR APPLICATIONS IN BIOMEDICAL IMAGING Washington University (US) 2013-12-18 EP disclosed
CN-101258130-B Isoquinolines as insulin-like growth factor-1 receptor inhibitors ANALYTECON SA 2012-11-28 CN disclosed
WO-2012109611-A2 PET/SPECT AGENTS FOR APPLICATIONS IN BIOMEDICAL IMAGING WASHINGTON UNIVERSITY (US) 2012-08-16 WO disclosed
CN-100590118-C Novel style heterocyclic compound as insulin-like growth factors first type acceptor inhibitor ANALYTECON SA 2010-02-17 CN disclosed
CN-101258130-A Isoquinolines as insulin-like growth factor-1 receptor inhibitors ANALYTECON SA (CH) 2008-09-03 CN disclosed
CN-1922147-A Novel style heterocyclic compound as insulin-like growth factors first type acceptor inhibitor ANALYTECON SA (CH) 2007-02-28 CN disclosed
EP-1135360-B1 NOVEL 3-ALKOXYBENZYLAMINE DERIVATIVES AND THEIR USE AS MEDICINES FOR TREATING SCHIZOPHRENIA PF MEDICAMENT (FR) 2004-03-31 EP disclosed
US-6350913-B1 AROMATIC AMINE COMPOUNDS PIERRE FABRE MEDICAMENT (FR) 2002-02-26 US disclosed
EP-1135360-A1 NOVEL 3-ALKOXYBENZYLAMINE DERIVATIVES AND THEIR USE AS MEDICINES FOR TREATING SCHIZOPHRENIA PIERRE FABRE MEDICAMENT (FR) 2001-09-26 EP disclosed
WO-2000032557-A1 NOVEL 3-ALKOXYBENZYLAMINE DERIVATIVES AND THEIR USE AS MEDICINES FOR TREATING SCHIZOPHRENIA PIERRE FABRE MEDICAMENT (FR) 2000-06-08 WO 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-11034648-B2 Cystobactamide derivatives CTH, CBS, SLC7A11 ERN1 4555/4885TLR2 389/4885TLR1 663/4885
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES CTH, CBS, SLC7A11 ERN1 4532/4885TLR2 568/4885TLR1 786/4885

“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.