SCHEMBL778198

SCHEMBL778198

CCC(C)c1cccc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
AOC3 Q16853 1/20 0.44
HDAC7 Q8WUI4 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
ACHE P22303 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41

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
SCHEMBL14512274 1.00 HDAC4 (0.53) HDAC4HDAC2HDAC8USP2ALDH1A1
SCHEMBL12671605 1.00 HDAC4 (0.53) HDAC4HDAC2HDAC8USP2ALDH1A1
SCHEMBL20992899 1.00 HDAC4 (0.53) HDAC4HDAC2HDAC8USP2ALDH1A1
SCHEMBL23170502 0.85 TRPA1 (0.42) HDAC4HDAC2HDAC8AOC3HDAC7
SCHEMBL1006801 0.84 HDAC4 (0.62) HDAC4HDAC2HDAC8USP2ALDH1A1
SCHEMBL14607991 0.84 AOC3 (0.41) HDAC4HDAC2HDAC8AOC3HDAC7
SCHEMBL779646 0.84 AOC3 (0.41) HDAC4HDAC2HDAC8AOC3HDAC7
SCHEMBL12284676 0.82 HDAC4 (0.44) HDAC4AOC3HDAC7HDAC5IDO1
SCHEMBL12827072 0.82 HDAC4 (0.44) HDAC4AOC3HDAC7HDAC5IDO1
SCHEMBL31165000 0.82 HDAC4 (0.44) HDAC4AOC3HDAC7HDAC5IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12100809-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2024-09-24 US disclosed
US-11771685-B2 Compounds for the treatment of neurological or mitochondrial diseases MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2023-10-03 US disclosed
US-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF DISC MEDICINE, INC. 2023-02-09 US disclosed
US-20230033360-A1 COMPOUNDS AS CD73 INHIBITORS BIOARDIS LLC 2023-02-02 US disclosed
US-11352343-B2 Urea derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2022-06-07 US disclosed
US-20220149436-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2022-05-12 US disclosed
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-05-12 US disclosed
US-20220125774-A1 COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL OR MITOCHONDRIAL DISEASES MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2022-04-28 US disclosed
US-11283107-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2022-03-22 US disclosed
US-20220024977-A1 PEPTIDOMIMETIC INHIBITORS OF B-CATENIN/TCF PROTEIN-PROTEIN INTERACTION H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2022-01-27 US disclosed
EP-2284169-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders Otsuka Pharmaceutical Co., Limited (JP) 2011-02-16 EP disclosed
US-7799822-B2 Phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-21 US disclosed
US-20090325065-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US disclosed
EP-2103665-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-09-23 EP disclosed
US-20090118302-A1 Novel Benzopyran Derivatives Having Inhibitory Activities Against Liver Fibrosis and Cirrhosis and Their Pharmaceutical Uses KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2009-05-07 US disclosed
EP-2012386-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2009-01-07 EP disclosed
US-20080146564-A1 1,3-Dihydro-Benzimidazol-2-Ylidene Amines as Inhibitors of Respiratory Syncytial Virus Replication JANSSEN SCIENCES IRELAND UC (IE) 2008-06-19 US disclosed
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-01-31 US disclosed
EP-1032576-B1 PHOTOACTIVATABLE NITROGEN-CONTAINING BASES BASED ON ALPHA-AMMONIUM KETONES, IMINIUM KETONES OR AMIDINIUM KETONES AND ARYL BORATES CIBA SC HOLDING AG (CH) 2008-01-16 EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 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 (10 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-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL HDAC4 2407/4885HDAC2 1298/4885HDAC8 2241/4885
US-20080146564-A1 1,3-Dihydro-Benzimidazol-2-Ylidene Amines as Inhibitors of Respiratory Syncytial Virus Replication H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR1, RTF2 HDAC4 3614/4885HDAC2 2252/4885HDAC8 3870/4885
US-20230033360-A1 COMPOUNDS AS CD73 INHIBITORS ENTPD5, ENTPD1, NT5E HDAC4 2514/4885HDAC2 2221/4885HDAC8 1896/4885
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 HDAC4 796/4885HDAC2 583/4885HDAC8 867/4885
US-11771685-B2 Compounds for the treatment of neurological or mitochondrial diseases MT-ND2, MT-ND1, NLN HDAC4 1063/4885HDAC2 829/4885HDAC8 1140/4885
US-11352343-B2 Urea derivatives and uses thereof UACA, RB1, FLT1 HDAC4 2576/4885HDAC2 3102/4885HDAC8 3235/4885
US-20220125774-A1 COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL OR MITOCHONDRIAL DISEASES MT-ND2, MT-ND1, NLN HDAC4 1063/4885HDAC2 829/4885HDAC8 1140/4885
US-20220024977-A1 PEPTIDOMIMETIC INHIBITORS OF B-CATENIN/TCF PROTEIN-PROTEIN INTERACTION CTNNB1, CTNNBL1, CTNND1 HDAC4 2672/4885HDAC2 2646/4885HDAC8 2021/4885
US-20090118302-A1 Novel Benzopyran Derivatives Having Inhibitory Activities Against Liver Fibrosis and Cirrhosis and Their Pharmaceutical Uses TGFBR1, TGFBR2, TGFB1 HDAC4 1151/4885HDAC2 1902/4885HDAC8 606/4885
US-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF MMP7, MATR3, SPINT2 HDAC4 3500/4885HDAC2 1412/4885HDAC8 2082/4885

“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.