SCHEMBL777940

SCHEMBL777940

CCC(C)c1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TSHR P16473 2/20 0.44
CYP2C9 P11712 1/20 0.44
GAA P10253 2/20 0.44
USP2 O75604 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 1/20 0.40
AOC3 Q16853 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39

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
SCHEMBL16234256 1.00 ALDH1A1 (0.44) ALDH1A1TSHRCYP2C9GAAUSP2
SCHEMBL12538431 1.00 ALDH1A1 (0.44) ALDH1A1TSHRCYP2C9GAAUSP2
Ethylamine SCHEMBL11493804 0.88 CYP17A1 (0.43) ALDH1A1TSHRCYP2C9GAAUSP2
SCHEMBL12808430 0.88 ALDH1A1 (0.49) ALDH1A1TSHRGAAHPGDNPSR1
SCHEMBL598140 0.87 ALDH1A1 (0.52) ALDH1A1TSHRCYP2C9GAAUSP2
SCHEMBL17149581 0.82 TRPA1 (0.42) ALDH1A1AOC3IDO1TDO2
Hydrogen Peroxide SCHEMBL11434421 0.81 ALDH1A1 (0.59) ALDH1A1TSHRCYP2C9GAAUSP2
SCHEMBL21503575 0.81 ALDH1A1 (0.44) ALDH1A1HPGDAOC3IDO1TDO2
SCHEMBL18286641 0.81 ALDH1A1 (0.44) ALDH1A1HPGDAOC3IDO1TDO2
SCHEMBL782013 0.81 ALDH1A1 (0.44) ALDH1A1HPGDAOC3IDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700232-B2 Comprises an electrolyte salt in a non-aqueous solvent which contains a tert-alkylbenzene compound of high purity; battery improved in safety, excellent in cycle performance and storage performance at a high temperature, improved safety UBE INDUSTRIES, LTD. (JP) 2010-04-20 US claimed
US-20080248399-A1 Comprises an electrolyte salt in a non-aqueous solvent which contains a tert-alkylbenzene compound of high purity; battery improved in safety, excellent in cycle performance and storage performance at a high temperature, improved safety UBE INDUSTRIES, LTD. (JP) 2008-10-09 US claimed
CN-1954456-A Nonaqueous electrolyte solution for lithium secondary battery UBE INDUSTRIES (JP) 2007-04-25 CN claimed
US-12100809-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2024-09-24 US disclosed
EP-4400504-A1 THIOPHENE RING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Center for Excellence in Molecular Cell Science, Chinese Academy of Sciences (CN) 2024-07-17 EP disclosed
US-20230255950-A1 3-(Hydroxy)-Pyridin-4(1H)-One Compounds and Methods of Making and Using the Same GEORGIA TECH RESEARCH CORPORATION 2023-08-17 US disclosed
EP-3814348-B1 SUBSTITUTED NAPHTHYRIDINONE COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2023-08-02 EP disclosed
US-20230203003-A1 Notch Inhibitors and Uses Thereof STEMSYNERGY THERAPEUTICS, INC. 2023-06-29 US disclosed
WO-2023115150-A1 BIFUNCTIONAL ARYLSULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-06-29 WO disclosed
US-20230174545-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2023-06-08 US disclosed
US-20230159537-A1 COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF IN PREPARATION OF ANTI-CANCER DRUG TIANJIN JIKUN MEDICAL TECHNOLOGY CO., LTD. (CN) 2023-05-25 US disclosed
WO-2009108766-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER ' S DISEASE SCHERING CORPORATION (US) 2009-09-03 WO disclosed
CN-101432923-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP (JP) 2009-05-13 CN disclosed
EP-2012386-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2009-01-07 EP disclosed
US-20080248399-A1 Comprises an electrolyte salt in a non-aqueous solvent which contains a tert-alkylbenzene compound of high purity; battery improved in safety, excellent in cycle performance and storage performance at a high temperature, improved safety UBE INDUSTRIES, LTD. (JP) 2008-10-09 US 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-20080019915-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); N[6-(2-hydroxymethylphenyl-1yl)-5-methylpyrimidine][(4-methoxophenyl-1-yl)cyclopopyl]-amide; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema and hemochromatosis, coagulation-fibrinolysis VERTEX PHARMACEUTICALS INCORPORATED 2008-01-24 US disclosed
EP-1500657-B1 Substituted pyrazoles as P38 kinase inhibitors SEARLE LLC (US) 2007-09-19 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
WO-2005009392-A2 DIHYDROPYRIMIDONE INHIBITORS OF CALCIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-03 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 (6 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-20230255950-A1 3-(Hydroxy)-Pyridin-4(1H)-One Compounds and Methods of Making and Using the Same KDM1B, KDM3A, KDM1A ALDH1A1 3076/4885TSHR 4390/4885CYP2C9 3689/4885
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 ALDH1A1 1249/4885TSHR 1965/4885CYP2C9 1745/4885
US-20230203003-A1 Notch Inhibitors and Uses Thereof NOTCH1, NOTCH2, NOTCH4 ALDH1A1 2288/4885TSHR 3942/4885CYP2C9 4027/4885
US-20230159537-A1 COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF IN PREPARATION OF ANTI-CANCER DRUG FGFR1, FGFR3, FGFR4 ALDH1A1 1040/4885TSHR 4216/4885CYP2C9 2995/4885
US-20080019915-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); N[6-(2-hydroxymethylphenyl-1yl)-5-methylpyrimidine][(4-methoxophenyl-1-yl)cyclopopyl]-amide; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema and hemochromatosis, coagulation-fibrinolysis CFTR, ABCC8, ABCB1 ALDH1A1 3710/4885TSHR 2080/4885CYP2C9 475/4885
US-20230174545-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS BET1, BRD4, BRD3 ALDH1A1 4239/4885TSHR 3306/4885CYP2C9 4791/4885

“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.