SCHEMBL782013

SCHEMBL782013

CCCC(C)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
HTR7 P34969 1/20 0.38
AOC3 Q16853 1/20 0.37
HTT P42858 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
LMNA P02545 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KMT2A Q03164 1/20 0.36

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
SCHEMBL18286641 1.00 ALDH1A1 (0.44) ALDH1A1HPGDHTR7AOC3HTT
SCHEMBL21503575 1.00 ALDH1A1 (0.44) ALDH1A1HPGDHTR7AOC3HTT
SCHEMBL13792137 0.94 ALDH1A1 (0.41) ALDH1A1HPGDHTT
SCHEMBL9746668 0.88 RIPK1 (0.43)
SCHEMBL15870930 0.87 ALDH1A1 (0.47) ALDH1A1HPGDHTR7AOC3HTT
SCHEMBL9278852 0.87 HTR7 (0.40) ALDH1A1HPGDHTR7SLC6A2SLC6A3
SCHEMBL9232425 0.87 HTR7 (0.40) ALDH1A1HPGDHTR7SLC6A2SLC6A3
SCHEMBL22649183 0.85 HTR7 (0.39) ALDH1A1HPGDHTR7SLC6A2SLC6A3
SCHEMBL8217828 0.85 HTR7 (0.39) ALDH1A1HPGDHTR7SLC6A2SLC6A3
SCHEMBL21536775 0.84 PSMD14 (0.41) ALDH1A1HPGDHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102797043-A Medicinal molecular fragment library and construction method thereof CBB NETWORK CO LTD 2012-11-28 CN claimed
CN-1640912-A Polyaryl-ether-ketone viscosity regulator synthesized based on A2+B3 type monomer reaction and method therefor UNIV JILIN (CN) 2005-07-20 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
US-12037323-B2 Uracil derivatives as Mer-AXL inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-20230339891-A1 URACIL DERIVATIVES AS MER-AXL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-10-26 US disclosed
US-11744826-B2 Compounds and methods of treating retinal degeneration CASE WESTERN RESERVE UNIVERSITY (US) 2023-09-05 US disclosed
WO-2023164237-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-08-31 WO disclosed
US-20230148157-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2023-05-11 US disclosed
US-20230128198-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS AURORA A SELECTIVE INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD (CN) 2023-04-27 US disclosed
US-11578071-B2 Preparation of pyrazolo[3,4-B]pyridines as antimalarials UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2023-02-14 US disclosed
US-11530197-B2 Analogs for the treatment of disease INSILICO MEDICINE IP LIMITED (HK) 2022-12-20 US disclosed
CN-102097654-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP 2011-06-15 CN disclosed
US-20090325065-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US 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
CN-101277740-A Antituberculous compositions comprising * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-10-01 CN disclosed
CN-100402581-C Polyaryl-ether-ketone viscosity regulator synthesized based on A2+B3 type monomer reaction and method therefor UNIV JILIN (CN) 2008-07-16 CN disclosed
CN-100360584-C Method of synthesizing fluorine containing superbranched light wave conductive material based on A2+B3 type monomer reaction UNIV JILIN (CN) 2008-01-09 CN disclosed
CN-1640912-A Polyaryl-ether-ketone viscosity regulator synthesized based on A2+B3 type monomer reaction and method therefor UNIV JILIN (CN) 2005-07-20 CN disclosed
US-4152529-A Dealkylation of halogenated alkyl substituted phenols UOP INC. (US) 1979-05-01 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 (7 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-12037323-B2 Uracil derivatives as Mer-AXL inhibitors MERTK, DAPK1, AXL ALDH1A1 1072/4885HPGD 3991/4885HTR7 4582/4885
US-20230148157-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF HMBS, DHFR, HCCS ALDH1A1 4332/4885HPGD 270/4885HTR7 3050/4885
US-20230128198-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS AURORA A SELECTIVE INHIBITORS AURKA, AURKC, AURKB ALDH1A1 2071/4885HPGD 3787/4885HTR7 3873/4885
US-11578071-B2 Preparation of pyrazolo[3,4-B]pyridines as antimalarials PNPO, NOX3, G6PD ALDH1A1 2771/4885HPGD 1896/4885HTR7 2469/4885
US-11530197-B2 Analogs for the treatment of disease MAP4K4, MAP4K5, MAP4K2 ALDH1A1 2948/4885HPGD 1580/4885HTR7 3201/4885
US-20230339891-A1 URACIL DERIVATIVES AS MER-AXL INHIBITORS MERTK, DAPK1, AXL ALDH1A1 1072/4885HPGD 3991/4885HTR7 4582/4885
US-11744826-B2 Compounds and methods of treating retinal degeneration ALDH1A2, PDE6D, PDE6C ALDH1A1 212/4885HPGD 238/4885HTR7 1981/4885

“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.