SCHEMBL778084

SCHEMBL778084

c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.46
KMO O15229 1/20 0.45
ACMSD Q8TDX5 2/20 0.43
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
HSP90AA1 P07900 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
BACE1 P56817 1/20 0.42
HDAC8 Q9BY41 2/20 0.41
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
DAO P14920 1/20 0.41
EPHX2 P34913 2/20 0.41
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL778085 0.96 HDAC8 (0.43) CYP11B2KMOACMSDKMT2ATDP1
SCHEMBL21332407 0.86 BACE1 (0.44) CYP11B2KMOACMSDKMT2ATDP1
SCHEMBL28873663 0.86 CYP11B2 (0.39) CYP11B2KMOACMSDKMT2ATDP1
SCHEMBL3786509 0.86 CYP11B2 (0.39) CYP11B2KMOACMSDKMT2ATDP1
SCHEMBL14295821 0.86 CYP11B2 (0.39) CYP11B2KMOACMSDKMT2ATDP1
SCHEMBL10793083 0.86 NR1I2 (0.46) CYP11B2KMOACMSDKMT2ATDP1
SCHEMBL263798 0.86 ACMSD (0.46) CYP11B2KMOACMSDHDAC8HDAC4
SCHEMBL23436412 0.84 KMO (0.41) CYP11B2KMOACMSDKMT2ATDP1
SCHEMBL7418278 0.84 TSHR (0.40) CYP11B2KMOACMSDKMT2ATDP1
SCHEMBL22960085 0.84 CYP11B2 (0.42) CYP11B2KMOACMSDKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117865878-A Chiral indoline-3-one derivative and preparation method thereof 郑州大学 2024-04-12 CN claimed
CN-114682298-B Chiral phosphonamide catalyst and preparation method and application thereof 中国海洋大学 2023-02-28 CN claimed
CN-114682298-A Chiral phosphonamide catalyst and preparation method and application thereof 中国海洋大学 2022-07-01 CN claimed
US-4171245-A Extractive distillation with hydrocarbon solvent of mixture of hydrocarbyl aromatic compound, hydroxy aromatic compound and carbonyl compound PHILLIPS PETROLEUM COMPANY (US) 1979-10-16 US claimed
US-12100809-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2024-09-24 US disclosed
CN-117865878-A Chiral indoline-3-one derivative and preparation method thereof 郑州大学 2024-04-12 CN disclosed
CN-114682298-B Chiral phosphonamide catalyst and preparation method and application thereof 中国海洋大学 2023-02-28 CN disclosed
CN-114682298-A Chiral phosphonamide catalyst and preparation method and application thereof 中国海洋大学 2022-07-01 CN 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-11283107-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2022-03-22 US disclosed
US-10941099-B2 Cyclohexanone-containing products and processes for making the same EXXONMOBIL CHEMICAL PATENTS INC. (US) 2021-03-09 US disclosed
US-10752570-B2 Processes for making cyclohexanone EXXONMOBIL CHEMICAL PATENTS INC. (US) 2020-08-25 US disclosed
WO-2013081184-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE COMPOSITION, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM USING THE SAME, PATTERN FORMING METHOD, MANUFACTURING METHOD OF ELECTRONIC DEVICE, ELECTRONIC DEVICE AND RESIN FUJIFILM CORPORATION (JP) 2013-06-06 WO disclosed
US-20120177988-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-07-12 US disclosed
US-20120100481-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE COMPOSITION AND PATTERN FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2012-04-26 US disclosed
US-20120070731-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-03-22 US disclosed
WO-2011013842-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE COMPOSITION AND PATTERN FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2011-02-03 WO 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-2012386-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2009-01-07 EP disclosed
US-4171245-A Extractive distillation with hydrocarbon solvent of mixture of hydrocarbyl aromatic compound, hydroxy aromatic compound and carbonyl compound PHILLIPS PETROLEUM COMPANY (US) 1979-10-16 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 (2 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-10941099-B2 Cyclohexanone-containing products and processes for making the same HYPK, BCKDK, KHK CYP11B2 388/4885KMO 85/4885ACMSD 61/4885
US-10752570-B2 Processes for making cyclohexanone HPD, GCK, KHK CYP11B2 150/4885KMO 222/4885ACMSD 100/4885

“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.