SCHEMBL298886

SCHEMBL298886

CCCCc1c[c]cc(CCCC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PTGS2 P35354 4/20 0.41
CYP3A4 P08684 2/20 0.41
CA2 P00918 3/20 0.41
GPR84 Q9NQS5 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SKP2 Q13309 1/20 0.41
CA1 P00915 2/20 0.39
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CA9 Q16790 1/20 0.36
XIAP P98170 1/20 0.36
ESR1 P03372 2/20 0.35
ADRA2A P08913 2/20 0.35
ADORA3 P0DMS8 2/20 0.35

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
SCHEMBL16960867 0.95 HPGD (0.42) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL16961331 0.93 HPGD (0.41) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL170953 0.93 PTGS2 (0.50) PTGS2CYP3A4CA2GPR84CA1
SCHEMBL829394 0.91 PTGS2 (0.52) PTGS2CYP3A4GPR84ALDH1A1HSD17B10
SCHEMBL1186069 0.91 PTGS2 (0.52) PTGS2CYP3A4GPR84ALDH1A1HSD17B10
SCHEMBL1187331 0.91 PTGS2 (0.52) PTGS2CYP3A4GPR84ALDH1A1HSD17B10
SCHEMBL1186650 0.91 PTGS2 (0.52) PTGS2CYP3A4GPR84ALDH1A1HSD17B10
SCHEMBL1188332 0.91 PTGS2 (0.52) PTGS2CYP3A4GPR84ALDH1A1HSD17B10
SCHEMBL1186516 0.91 PTGS2 (0.52) PTGS2CYP3A4GPR84ALDH1A1HSD17B10
SCHEMBL1187072 0.91 PTGS2 (0.52) PTGS2CYP3A4GPR84ALDH1A1HSD17B10

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 296 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-112742483-B Catalyst system for ethylene selective oligomerization and preparation and application thereof 华东理工大学 2024-04-02 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
EP-3550657-B1 ELECTROLYTE AND SECONDARY LITHIUM BATTERY CONTEMPORARY AMPEREX TECHNOLOGY CO LTD (CN) 2023-06-28 EP claimed
WO-2020251247-A1 NOVEL TRANSITION METAL COMPOUND AND METHOD FOR PREPARING POLYPROPYLENE USING SAME 주식회사 엘지화학 2020-12-17 WO claimed
EP-3550657-A1 ELECTROLYTE AND SECONDARY LITHIUM BATTERY Contemporary Amperex Technology Co., Limited (CN) 2019-10-09 EP claimed
US-20190267671-A1 ELECTROLYTE AND SECONDARY LITHIUM BATTERY CONTEMPORARY AMPEREX TECHNOLOGY CO., LIMITED (CN) 2019-08-29 US claimed
CN-107033342-A A kind of preparation method of the solid supported chiral bisoxazoline parts of PEG 清华大学 2017-08-11 CN claimed
CN-106632478-A Chiral bidentate nitrogen-containing phosphine ligands and application thereof in asymmetric catalytic reaction 武汉凯特立斯科技有限公司 2017-05-10 CN claimed
EP-3107542-A1 PROCESS FOR PREPARING N-BENZYL-3-HYDROXY-4-SUBSTITUTED-PYRIDIN-2-(1H)-ONES Aerpio Therapeutics, Inc. (US) 2016-12-28 EP 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
EP-1976528-A2 PROKINETICIN 2 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2008-10-08 EP claimed
EP-1973886-A2 PROKINETICIN 1 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2008-10-01 EP 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-2007079214-A2 PROKINETICIN 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-12 WO claimed
WO-2007079163-A2 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-12 WO claimed
US-7161018-B2 Soluble late transition metal catalysts for olefin oligomerizations II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-01-09 US claimed
EP-1513854-B1 SOLUBLE LATE TRANSITION METAL CATALYSTS FOR OLEFIN OLIGOMERIZATIONS EXXONMOBIL CHEM PATENTS INC (US) 2006-11-29 EP 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
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

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 HPGD 2102/4885NPC1 576/4885MAPK1 1878/4885
US-20080223444-A1 Perylene Charge-Transport Materials, Methods of Fabrication Thereof, and Methods of Use Thereof SLC43A1, SLC3A2, SLC16A3 HPGD 2088/4885NPC1 596/4885MAPK1 4724/4885
US-20090044863-A1 CORONENE CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF SLC18A3, CORO1C, SLC18A1 HPGD 1675/4885NPC1 227/4885MAPK1 4291/4885

“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.