SCHEMBL3159607

SCHEMBL3159607

CC(C)(C)OC(=O)n1cc(C(=O)O)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
THRB P10828 1/20 0.48
ACHE P22303 1/20 0.47
PIM1 P11309 1/20 0.47
MARK3 P27448 1/20 0.47
MAP4K2 Q12851 1/20 0.47
CAMK2B Q13554 1/20 0.47
PIM3 Q86V86 1/20 0.47
PIM2 Q9P1W9 1/20 0.47
EPHX1 P07099 1/20 0.46
BRD4 O60885 1/20 0.44
CREBBP Q92793 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDE10A Q9Y233 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL30958459 1.00 L3MBTL1 (0.56) L3MBTL1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL17347025 0.90 L3MBTL1 (0.53) L3MBTL1KMT2AMEN1KDM4EACHE
SCHEMBL6179129 0.88 L3MBTL1 (0.56) L3MBTL1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL28247794 0.87 L3MBTL1 (0.55) L3MBTL1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL30207773 0.87 L3MBTL1 (0.55) L3MBTL1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL28247852 0.87 L3MBTL1 (0.55) L3MBTL1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL28247204 0.87 L3MBTL1 (0.55) L3MBTL1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL1746797 0.86 KMT2A (0.76) L3MBTL1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL29651126 0.86 KMT2A (0.76) L3MBTL1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL6179754 0.83 L3MBTL1 (0.55) L3MBTL1KMT2AMEN1ALDH1A1KDM4E

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023183444-A1 MODULATORS OF PROTEIN KINASES VIBLIOME THERAPEUTICS, LLC (US) 2023-09-28 WO disclosed
WO-2023183444-A1 MODULATORS OF PROTEIN KINASES VIBLIOME THERAPEUTICS, LLC (US) 2023-09-28 WO disclosed
CN-114853784-B Staurosporine compound and preparation method and application thereof 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2023-09-05 CN disclosed
CN-114853784-A Staurosporine compound and preparation method and application thereof 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2022-08-05 CN disclosed
US-11136318-B2 Processes for the preparation of aryl hydrocarbon receptor ligands NORAMCO, LLC (US) 2021-10-05 US disclosed
US-11136318-B2 Processes for the preparation of aryl hydrocarbon receptor ligands NORAMCO, LLC (US) 2021-10-05 US disclosed
US-20210009579-A1 PROCESSES FOR THE PREPARATION OF ARYL HYDROCARBON RECEPTOR LIGANDS MERCACHEM PROCESS RESEARCH BV (NL) 2021-01-14 US disclosed
US-20210009579-A1 PROCESSES FOR THE PREPARATION OF ARYL HYDROCARBON RECEPTOR LIGANDS MERCACHEM PROCESS RESEARCH BV (NL) 2021-01-14 US disclosed
US-8273745-B2 Polycyclic acid compounds useful as CRTH2 antagonists and antiallergic agents ASTELLAS PHARMA INC (JP) 2012-09-25 US disclosed
CN-102442941-A Polycyclic acid compounds useful as crth2 antagonists and antiallergic agents ASTELLAS PHARMA INC 2012-05-09 CN disclosed
EP-2094662-B1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC (JP) 2012-04-11 EP disclosed
CN-101636386-A Polycyclic acid compounds useful as CRTH2 antagonists and antiallergic agents ASTELLAS PHARMA INC 2010-01-27 CN disclosed
US-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2010-01-14 US disclosed
EP-2094662-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS Astellas Pharma Inc. (JP) 2009-09-02 EP disclosed
WO-2008072784-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2008-06-19 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 (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-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS HRH2, HRH1, HRH4 L3MBTL1 4881/4885KMT2A 2733/4885MEN1 3534/4885
US-20210009579-A1 PROCESSES FOR THE PREPARATION OF ARYL HYDROCARBON RECEPTOR LIGANDS AHR, ARNT, INSR L3MBTL1 2910/4885KMT2A 434/4885MEN1 4694/4885
US-11136318-B2 Processes for the preparation of aryl hydrocarbon receptor ligands AHR, ARNT, INSR L3MBTL1 2910/4885KMT2A 434/4885MEN1 4694/4885

“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.