SCHEMBL147391

SCHEMBL147391

CCc1[c]c(CC)cc(CC)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.37
TP53 P04637 1/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
TRPA1 O75762 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
HSPA5 P11021 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
SCHEMBL28453454 0.97 PTGS2 (0.36) PTGS2TP53NOS3NOS1NOS2
SCHEMBL5050077 0.92 PTGS2 (0.33) PTGS2TP53NOS3NOS1NOS2
SCHEMBL28090050 0.88 TAAR1 (0.33) PTGS2NOS3NOS1NOS2
SCHEMBL15068068 0.87 PTGS2 (0.33) PTGS2TP53NOS3NOS1NOS2
SCHEMBL2467446 0.86
SCHEMBL509622 0.85 PTGS2 (0.32) PTGS2NOS3NOS1NOS2
SCHEMBL15063544 0.83 PTGS2 (0.31) PTGS2
SCHEMBL15063904 0.83 PTGS2 (0.31) PTGS2
SCHEMBL15064193 0.83 PTGS2 (0.31) PTGS2
SCHEMBL27382724 0.81 LOXL2 (0.32) NOS3NOS1NOS2

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 1364 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118344695-A Hydroxyl-enriched cycloolefin copolymer long afterglow material and application thereof 重庆理工大学 2024-07-16 CN claimed
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
CN-113260603-B Preparation of 5-aryl pentanols 巴斯夫欧洲公司 2023-12-01 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
CN-116554372-A Preparation method of low-entanglement ultra-high molecular weight polyethylene 中国科学院长春应用化学研究所 2023-08-08 CN claimed
EP-3908566-B1 PREPARATION OF 5-ARYL PENTANOLS BASF SE (DE) 2023-07-26 EP claimed
US-20050245555-A1 Tri-substituted ureas as cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2005-11-03 US 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
US-20030100689-A1 Polymerisation catalyst BP CHEMICALS LIMITED (GB) 2003-05-29 US 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
US-20020045747-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds WU JING (US) 2002-04-18 US claimed
US-RE37094-E1 Heterocyclic substituted acylaminothiazoles, their preparation and pharmaceutical compositions containing them SANOFI (FR) 2001-03-13 US claimed
WO-2000003803-A1 CATALYST COMPOSITION BP CHEMICALS LIMITED (GB) 2000-01-27 WO 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 (4 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-20050245555-A1 Tri-substituted ureas as cytokine inhibitors IL1B, IL1A, IL6 PTGS2 541/4885TP53 1178/4885NOS3 258/4885
US-20240216900-A1 SABRE CATALYSTS CONTAINING FLUORINATED CARBON CHAINS FOR DELIVERY OF METAL-FREE MRI CONTRAST AGENTS FABP7, FFAR1, FABP1 PTGS2 3794/4885TP53 2915/4885NOS3 3447/4885
US-20030100689-A1 Polymerisation catalyst NR1H2, NR1H3, MT-CO1 PTGS2 3172/4885TP53 4439/4885NOS3 1611/4885
US-20020045747-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 PTGS2 841/4885TP53 2033/4885NOS3 1769/4885

“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.