SCHEMBL2594719

SCHEMBL2594719

CC(C)n1ccc2c(C(=O)O)cccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 1/20 0.49
MGLL Q99685 1/20 0.48
FABP4 P15090 3/20 0.42
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
PTPN1 P18031 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MEN1 O00255 2/20 0.38
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38

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
SCHEMBL14917590 0.85 EZH2 (0.48) EZH2MGLLALDH1A1GAAKDM4E
SCHEMBL16116199 0.83 EZH2 (0.49) EZH2MGLLNR4A2ALDH1A1CA12
SCHEMBL26265512 0.83 EZH2 (0.46) EZH2MGLLPTPN1CA12CA1
SCHEMBL6174526 0.81 EZH2 (0.46) EZH2MGLLALDH1A1CA12CA1
SCHEMBL27910227 0.78 MGLL (0.38) EZH2MGLLFABP4
Hydrochloric Acid SCHEMBL7884826 0.78 EZH2 (0.43) EZH2MGLL
SCHEMBL2082208 0.78 CA12 (0.52) ALDH1A1CA12CA1CA2CA9
SCHEMBL17970375 0.78 EZH2 (0.37) EZH2MGLLPTPN1ALDH1A1CA12
SCHEMBL14727054 0.78 EZH2 (0.40) EZH2MGLLFABP4ALDH1A1GAA
SCHEMBL1130987 0.77 PTPN1 (0.61) MGLLFABP4NR4A1NR4A2NR4A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12570675-B2 Boronic acid compounds LG CHEM, LTD. (KR) 2026-03-10 US disclosed
US-20240101579-A1 BORONIC ACID COMPOUNDS LG CHEM, LTD. (KR) 2024-03-28 US disclosed
EP-4242213-A1 BORONIC ACID COMPOUND Lg Chem, Ltd. (KR) 2023-09-13 EP disclosed
CN-116568310-A Boric acid compounds 株式会社LG化学 2023-08-08 CN disclosed
US-11608347-B2 Octahydropyrido[1,2-alpha]pyrazines as MAGL inhibitors HOFFMANN-LA ROCHE INC. (US) 2023-03-21 US disclosed
WO-2022123530-A1 BORONIC ACID COMPOUND 주식회사 엘지화학 2022-06-16 WO disclosed
US-20210024546-A1 OCTAHYDROPYRIDO[1,2-ALPHA]PYRAZINES AS MAGL INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2021-01-28 US disclosed
EP-3737680-A1 OCTAHYDROPYRIDO[1,2-ALPHA]PYRAZINES AS MAGL INHIBITORS F. Hoffmann-La Roche AG (CH) 2020-11-18 EP disclosed
CN-111566105-A Octahydropyrido [1, 2-alpha ] pyrazines as MAGL inhibitors 豪夫迈·罗氏有限公司 2020-08-21 CN disclosed
WO-2019134985-A1 OCTAHYDROPYRIDO[1,2-ALPHA]PYRAZINES AS MAGL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-07-11 WO disclosed
WO-2014155301-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS INHIBITORS OF EZH2 Piramal Enterprises Limited (IN) 2014-10-02 WO disclosed
WO-2011140324-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 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 (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-20210024546-A1 OCTAHYDROPYRIDO[1,2-ALPHA]PYRAZINES AS MAGL INHIBITORS PYM1, MAG, MAGI3 EZH2 4276/4885MGLL 84/4885FABP4 4815/4885
US-12570675-B2 Boronic acid compounds PSMB6, PSMB3, PSMB2 EZH2 1258/4885MGLL 3038/4885FABP4 4705/4885
US-11608347-B2 Octahydropyrido[1,2-alpha]pyrazines as MAGL inhibitors PYM1, MAG, MAGI3 EZH2 4276/4885MGLL 84/4885FABP4 4815/4885
US-20240101579-A1 BORONIC ACID COMPOUNDS PSMB11, PSMB1, BACH1 EZH2 1566/4885MGLL 4444/4885FABP4 4274/4885

“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.