SCHEMBL185189

SCHEMBL185189

CC(C)Cc1[c]c(CC(C)C)ccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.44
GABRB2 P47870 2/20 0.44
SLC6A2 P23975 2/20 0.36
TAAR1 Q96RJ0 2/20 0.36
MAOA P21397 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CYP2A6 P11509 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
PNMT P11086 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
PARP1 P09874 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
SCHEMBL1777119 0.91 GABRA1 (0.39) GABRA1GABRB2SLC6A2TAAR1MAOA
SCHEMBL1776725 0.87 GABRA1 (0.36) GABRA1GABRB2
SCHEMBL1777260 0.86 GABRA1 (0.39) GABRA1GABRB2SLC6A2TAAR1MAOA
SCHEMBL1777957 0.84 GABRA1 (0.38) GABRA1GABRB2SLC6A2TAAR1MAOA
SCHEMBL2698487 0.84 GABRA1 (0.38) GABRA1GABRB2SLC6A2TAAR1MAOA
SCHEMBL1778239 0.84 GABRA1 (0.34) GABRA1GABRB2MAOA
SCHEMBL1777118 0.81 GABRA1 (0.35) GABRA1GABRB2
SCHEMBL1777565 0.81 KCNH2 (0.42) SLC6A2SLC6A4SLC6A3ADORA2A
SCHEMBL11503678 0.80 GABRA1 (0.34) GABRA1GABRB2
SCHEMBL20526185 0.78 SLC6A2 (0.32) GABRA1GABRB2SLC6A2TAAR1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216900-A1 SABRE CATALYSTS CONTAINING FLUORINATED CARBON CHAINS FOR DELIVERY OF METAL-FREE MRI CONTRAST AGENTS THE U.S.A., AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2024-07-04 US claimed
CN-117551134-A Complex and preparation method and application thereof 南京佳诺霖光电科技有限公司 2024-02-13 CN claimed
WO-2024022413-A1 DIVALENT METAL COMPLEX, PREPARATION METHOD THEREFOR AND USE THEREOF, AND ORGANIC OPTOELECTRONIC DEVICE 中国石油化工股份有限公司 2024-02-01 WO claimed
CN-117466944-A Divalent metal complex, preparation method and application thereof, and organic photoelectric device 中国石油化工股份有限公司 2024-01-30 CN claimed
WO-2023196594-A2 SABRE CATALYSTS CONTAINING FLUORINATED CARBON CHAINS FOR DELIVERY OF METAL-FREE MRI CONTRAST AGENTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-10-12 WO claimed
CN-116574136-A Bivalent platinum complex and preparation method and application thereof 南京佳诺霖光电科技有限公司 2023-08-11 CN claimed
EP-3550657-B1 ELECTROLYTE AND SECONDARY LITHIUM BATTERY CONTEMPORARY AMPEREX TECHNOLOGY CO LTD (CN) 2023-06-28 EP claimed
CN-115991724-A Blue phosphorescence bivalent platinum complex, preparation method and application thereof, and organic photoelectric device 中国石油化工股份有限公司 2023-04-21 CN claimed
CN-115991722-A Yellow-green phosphorescence bivalent platinum complex, preparation method and application thereof, and organic photoelectric device 中国石油化工股份有限公司 2023-04-21 CN claimed
CN-115991725-A Green phosphorescence bivalent platinum complex, preparation method and application thereof, and organic photoelectric device 中国石油化工股份有限公司 2023-04-21 CN claimed
US-20090044863-A1 CORONENE CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF NATIONAL SCIENCE FOUNDATION 2009-02-19 US claimed
US-20080223444-A1 Perylene Charge-Transport Materials, Methods of Fabrication Thereof, and Methods of Use Thereof GEORGIA TECH RESEARCH CORPORATION 2008-09-18 US claimed
WO-2006093965-A2 CORONENE CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF GEORGIA TECH RESEARCH CORPORATION (US) 2006-09-08 WO claimed
CN-1247492-C Cobalt catalyst composition for ethylene oligomerization and application thereof CHINA NAT PETROLEUM CORP (CN) 2006-03-29 CN claimed
WO-2005124453-A2 PERYLENE CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF GEORGIA TECH RESEARCH CORPORATION (US) 2005-12-29 WO claimed
CN-1202049-C Iron-based catalyst composition for ethylene oligomerization and application thereof CHINA NAT PETROLEUM CORP (CN) 2005-05-18 CN claimed
CN-1463800-A Binuclear cobalt catalyst composition for synthesizing linear alpha-olefin by ethylene oligomerization and method for preparing linear alpha-olefin PETROCHINA CO LTD (CN) 2003-12-31 CN claimed
CN-1463799-A Binuclear iron-based catalyst composition for preparing alpha-olefin by ethylene oligomerization and method for preparing linear alpha-olefin PETROCHINA CO LTD (CN) 2003-12-31 CN claimed
CN-1403424-A Cobalt catalyst composition for ethylene oligomerization and preparation method of alpha-olefin CHINA NAT PETROLEUM CORP (CN) 2003-03-19 CN claimed
CN-1374281-A Iron-based catalyst composition for ethylene oligomerization and preparation method of alpha-olefin CHINA PETROLEUM CORP (CN) 2002-10-16 CN claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20240216900-A1 SABRE CATALYSTS CONTAINING FLUORINATED CARBON CHAINS FOR DELIVERY OF METAL-FREE MRI CONTRAST AGENTS FABP7, FFAR1, FABP1 GABRA1 921/4885GABRB2 776/4885SLC6A2 188/4885
US-20080223444-A1 Perylene Charge-Transport Materials, Methods of Fabrication Thereof, and Methods of Use Thereof SLC43A1, SLC3A2, SLC16A3 GABRA1 3948/4885GABRB2 3158/4885SLC6A2 126/4885
US-20090044863-A1 CORONENE CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF SLC18A3, CORO1C, SLC18A1 GABRA1 3782/4885GABRB2 3009/4885SLC6A2 103/4885

“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.