SCHEMBL352509

SCHEMBL352509

CCOC(=O)c1cc(C(C)(C)C)on1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.49
CYP1A2 P05177 1/20 0.46
EGFR P00533 1/20 0.45
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 2/20 0.42
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
NPC1 O15118 2/20 0.42
POLB P06746 2/20 0.42
RAB9A P51151 2/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ACR P10323 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
SCHEMBL1807034 0.89 CYP1A2 (0.45) MAPK1CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL3760681 0.87 CYP1A2 (0.44) MAPK1CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL24710096 0.87 CYP1A2 (0.44) MAPK1CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL14067391 0.86 CYP1A2 (0.42) MAPK1CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL410530 0.85 IDO1 (0.46) CYP1A2ALDH1A1MEN1KMT2AMAPT
SCHEMBL10044257 0.83 MLYCD (0.43) MAPK1CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL13887373 0.81 MLYCD (0.49) CYP1A2ALDH1A1MEN1KMT2AMAPT
SCHEMBL2331928 0.81 CYP1A2 (0.39) MAPK1CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL20173263 0.79 SCD (0.49) MAPK1ALDH1A1MEN1KMT2ANPC1
SCHEMBL3763793 0.79 ALDH1A1 (0.38) MAPK1CYP1A2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327380-A1 BTK INHIBITORS BIOGEN MA INC. (US) 2024-10-03 US disclosed
CN-116917279-A BTK inhibitors 渤健马萨诸塞州股份有限公司 2023-10-20 CN disclosed
EP-4192587-A1 BTK INHIBITORS Biogen MA Inc. (US) 2023-06-14 EP disclosed
WO-2022032019-A1 BTK INHIBITORS BIOGEN MA INC. (US) 2022-02-10 WO disclosed
US-9827228-B2 Opioid receptor modulators and use thereof NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2017-11-28 US disclosed
US-9827228-B2 Opioid receptor modulators and use thereof NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2017-11-28 US disclosed
EP-2811990-B1 MODULATORS OF EXCHANGE PROTEINS DIRECTLY ACTIVATED BY CAMP (EPACS) UNIV TEXAS (US) 2017-10-25 EP disclosed
EP-2811990-B1 MODULATORS OF EXCHANGE PROTEINS DIRECTLY ACTIVATED BY CAMP (EPACS) UNIV TEXAS (US) 2017-10-25 EP disclosed
WO-2017039778-A1 OPIOID RECEPTOR MODULATORS AND USE THEREOF REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2017-03-09 WO disclosed
US-20170056377-A1 OPIOID RECEPTOR MODULATORS AND USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-03-02 US disclosed
EP-1874287-A2 COMPOUNDS AND COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF OBESITY AND RELATED SYNDROMES Innodia Inc. (CA) 2008-01-09 EP disclosed
EP-1858840-A2 ANALOGS OF 4-HYDROXYISOLEUCINE AND USES THEREOF Innodia Inc. (CA) 2007-11-28 EP disclosed
WO-2007107008-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF DISORDERS OF FAT METABOLISM AND OBESITY INNODIA INC. (CA) 2007-09-27 WO disclosed
WO-2006131836-A2 COMPOUNDS AND COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF OBESITY AND RELATED SYNDROMES INNODIA INC. (US) 2006-12-14 WO disclosed
WO-2006120574-A2 ANALOGS OF 4-HYDROXYISOLEUCINE AND USES THEREOF INNODIA INC. (CA) 2006-11-16 WO disclosed
US-20060223884-A1 Compounds and compositions for use in the prevention and treatment of obesity and related syndromes INVESTISSEMENT QUEBEC (CA) 2006-10-05 US disclosed
EP-1704143-A1 MALONONITRILE COMPOUND AS PESTICIDES Sumitomo Chemical Company, Limited (JP) 2006-09-27 EP disclosed
US-20060199853-A1 Analogs of 4-hydroxyisoleucine and uses thereof UNIVERSITE LOUIS PASTEUR STRASBOURG I (FR) 2006-09-07 US disclosed
WO-2005068432-A1 MALONONITRILE COMPOUND AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-07-28 WO disclosed
EP-0114456-A2 Acylated isoxazolyl ureas, their preparation, herbicidal formulations containing the same, and a herbicidal method SHIONOGI & CO., LTD. (JP) 1984-08-01 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 (4 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-20060223884-A1 Compounds and compositions for use in the prevention and treatment of obesity and related syndromes GPR119, HSD3B1, PC MAPK1 3107/4885CYP1A2 453/4885EGFR 4653/4885
US-20060199853-A1 Analogs of 4-hydroxyisoleucine and uses thereof GPR119, SLC2A1, SLC5A1 MAPK1 651/4885CYP1A2 347/4885EGFR 3848/4885
US-20240327380-A1 BTK INHIBITORS BTK, SYK, LYN MAPK1 644/4885CYP1A2 3756/4885EGFR 207/4885
US-20170056377-A1 OPIOID RECEPTOR MODULATORS AND USE THEREOF OPRM1, OPRK1, OPRL1 MAPK1 2926/4885CYP1A2 425/4885EGFR 1265/4885

“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.