SCHEMBL9004436

SCHEMBL9004436

CC(C)(C)C(=O)C1=CCCC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 4/20 0.50
HDAC3 O15379 3/20 0.50
HDAC1 Q13547 3/20 0.50
HDAC4 P56524 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
CTSK P43235 1/20 0.40
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CES2 O00748 1/20 0.31
CCR2 P41597 1/20 0.30
GSTP1 P09211 1/20 0.30

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
SCHEMBL9004443 0.94 HDAC2 (0.52) HDAC2HDAC3HDAC1HDAC4HDAC8
SCHEMBL9004448 0.84 CES2 (0.33) HDAC2HDAC3HDAC1HDAC4HDAC8
SCHEMBL19115944 0.83 HDAC2 (0.47) HDAC2HDAC3HDAC1HDAC4HDAC8
SCHEMBL21891951 0.80 HDAC4 (0.44) HDAC2HDAC3HDAC1HDAC4HDAC8
SCHEMBL18857348 0.80 HDAC4 (0.44) HDAC2HDAC3HDAC1HDAC4HDAC8
SCHEMBL22757455 0.79 HDAC4 (0.43) HDAC2HDAC3HDAC1HDAC4HDAC8
SCHEMBL6965531 0.79
SCHEMBL14606179 0.76 HDAC2 (0.55) HDAC2HDAC3HDAC1HDAC4HDAC8
SCHEMBL720598 0.75
SCHEMBL2559392 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212183-A9 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-07-06 US disclosed
US-20230212183-A9 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-07-06 US disclosed
US-11673898-B2 Substituted inhibitors of menin-MLL and methods of use KURA ONCOLOGY, INC. (US) 2023-06-13 US disclosed
US-11673898-B2 Substituted inhibitors of menin-MLL and methods of use KURA ONCOLOGY, INC. (US) 2023-06-13 US disclosed
US-20230147053-A1 FUSED N-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2023-05-11 US disclosed
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF THE EHE FOUNDATION 2023-05-11 US disclosed
US-20220332687-A1 HETEROARYL COMPOUNDS AND USES THEREOF SANOFI (FR) 2022-10-20 US disclosed
US-11358959-B2 Benzothiophene and benzothiazole compounds and methods of use thereof ARAXES PHARMA LLC (US) 2022-06-14 US disclosed
US-11279689-B2 1-(3-(6-(3-hydroxynaphthalen-1-yl)benzofuran-2-yl)azetidin-1 yl)prop-2-en-1-one derivatives and similar compounds as KRAS G12C modulators for treating cancer ARAXES PHARMA LLC (US) 2022-03-22 US disclosed
US-20210380595-A1 2-(2-ACRYLOYL-2,6-DIAZASPIRO[3.4]OCTAN-6-YL)-6-(1H-INDAZOL-4-YL)-BENZONITRILE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF G12C MUTANT KRAS PROTEIN FOR INHIBITING TUMOR METASTASIS ARAXES PHARMA LLC (US) 2021-12-09 US disclosed
US-20100069294-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-03-18 US disclosed
US-20100041674-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-02-18 US disclosed
US-20100041591-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-02-18 US disclosed
US-20100029610-A1 Heteroaryl Compounds and Uses Thereof AVILA THERAPEUTICS, INC. (US) 2010-02-04 US disclosed
US-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-01-21 US disclosed
US-20090306085-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-12-10 US disclosed
US-20090306085-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-12-10 US disclosed
US-20090176858-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-07-09 US disclosed
US-20090176858-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-07-09 US disclosed
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-05-28 US 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 (16 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-20100029610-A1 Heteroaryl Compounds and Uses Thereof ABCG2, CYP3A43, CYP3A5 HDAC2 1013/4885HDAC3 148/4885HDAC1 2071/4885
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF TEAD2, TEAD3, TEAD4 HDAC2 1120/4885HDAC3 354/4885HDAC1 636/4885
US-20100069294-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC HDAC2 2129/4885HDAC3 661/4885HDAC1 1888/4885
US-20220332687-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 HDAC2 1013/4885HDAC3 148/4885HDAC1 2071/4885
US-20090176858-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC HDAC2 2129/4885HDAC3 661/4885HDAC1 1888/4885
US-11358959-B2 Benzothiophene and benzothiazole compounds and methods of use thereof KRAS, NRAS, RB1 HDAC2 3502/4885HDAC3 2972/4885HDAC1 1096/4885
US-20210380595-A1 2-(2-ACRYLOYL-2,6-DIAZASPIRO[3.4]OCTAN-6-YL)-6-(1H-INDAZOL-4-YL)-BENZONITRILE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF G12C MUTANT KRAS PROTEIN FOR INHIBITING TUMOR METASTASIS KRAS, NRAS, G3BP2 HDAC2 3096/4885HDAC3 3139/4885HDAC1 1741/4885
US-20230147053-A1 FUSED N-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS HDAC2 2773/4885HDAC3 1472/4885HDAC1 338/4885
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 HDAC2 1013/4885HDAC3 148/4885HDAC1 2071/4885
US-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 HDAC2 1013/4885HDAC3 148/4885HDAC1 2071/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS HDAC2 3134/4885HDAC3 3157/4885HDAC1 1801/4885
US-20090306085-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC HDAC2 2129/4885HDAC3 661/4885HDAC1 1888/4885
US-11673898-B2 Substituted inhibitors of menin-MLL and methods of use MLLT1, MEN1, MLLT3 HDAC2 264/4885HDAC3 1040/4885HDAC1 255/4885
US-20100041674-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC HDAC2 2129/4885HDAC3 661/4885HDAC1 1888/4885
US-20100041591-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC HDAC2 2129/4885HDAC3 661/4885HDAC1 1888/4885
US-11279689-B2 1-(3-(6-(3-hydroxynaphthalen-1-yl)benzofuran-2-yl)azetidin-1 yl)prop-2-en-1-one derivatives and similar compounds as KRAS G12C modulators for treating cancer KRAS, NRAS, HRAS HDAC2 2742/4885HDAC3 3193/4885HDAC1 2155/4885

“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.