SCHEMBL677764

SCHEMBL677764

CC(C)Cc1[c]ccc(CC(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
PTGS2 P35354 4/20 0.32
PTGS1 P23219 3/20 0.32
LMNA P02545 3/20 0.32
CYP2C9 P11712 3/20 0.32
ESR1 P03372 3/20 0.32
AKR1C3 P42330 2/20 0.32
CXCR1 P25024 2/20 0.32
CXCR2 P25025 2/20 0.32
ALOX5 P09917 2/20 0.32
NFKB1 P19838 2/20 0.32
HTR2A P28223 2/20 0.32
BLM P54132 2/20 0.32
PMP22 Q01453 2/20 0.32
ALB P02768 1/20 0.32

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
SCHEMBL1778312 0.88 TRPA1 (0.32) GABRA1GABRB2MAPTLMNAAKR1C3
SCHEMBL27730407 0.86 CSNK2A1 (0.34) GABRA1GABRB2ALDH1A1
SCHEMBL1778991 0.85 CNR1 (0.35) GABRA1GABRB2CNR1
SCHEMBL1777933 0.82 SKP2 (0.38) MAPTPTGS2ALDH1A1CYP3A4HPGD
SCHEMBL15067851 0.81 GABRA1 (0.42) GABRA1GABRB2MEN1KMT2APOLB
SCHEMBL1776760 0.79 PTGS2 (0.35) GABRA1GABRB2PTGS2PTGS1LMNA
SCHEMBL7469143 0.79 GABRA1 (0.41) GABRA1GABRB2MEN1KMT2APOLB
SCHEMBL1776394 0.79 NOS3 (0.32) KDM4EHPGDHSD17B10USP2
SCHEMBL207598 0.78 PNMT (0.36) LMNATP53HPGDHSD17B10SLC6A2
SCHEMBL208769 0.78

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 179 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-116655699-A Bivalent platinum complex white phosphorus light material and device application thereof 南京佳诺霖光电科技有限公司 2023-08-29 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
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-115700254-A Bivalent platinum complex and preparation method and application thereof 南京工业大学 2023-02-07 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-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-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-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 776/4885MEN1 1041/4885
US-20080223444-A1 Perylene Charge-Transport Materials, Methods of Fabrication Thereof, and Methods of Use Thereof SLC43A1, SLC3A2, SLC16A3 GABRA1 3948/4885GABRB2 3158/4885MEN1 1319/4885
US-20090044863-A1 CORONENE CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF SLC18A3, CORO1C, SLC18A1 GABRA1 3782/4885GABRB2 3009/4885MEN1 2368/4885

“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.