SCHEMBL5547288

SCHEMBL5547288

CC(C)(C)c1cccc(-c2cccc(C(C)(C)C)c2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.72
RXRA P19793 2/20 0.62
RXRB P28702 2/20 0.62
HDAC4 P56524 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
ACHE P22303 3/20 0.45
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTPN5 P54829 2/20 0.41
PTPN1 P18031 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41

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
SCHEMBL30023786 1.00 KIF11 (0.72) KIF11RXRARXRBHDAC4HDAC2
SCHEMBL27659191 0.97 KIF11 (0.76) KIF11RXRARXRBHDAC4HDAC2
SCHEMBL25706667 0.95 KIF11 (0.67) KIF11RXRARXRBHDAC4HDAC2
SCHEMBL29373306 0.93 KIF11 (0.64) KIF11RXRARXRBHDAC4HDAC2
SCHEMBL779683 0.93 KIF11 (0.70) KIF11RXRARXRBHDAC4HDAC2
SCHEMBL25693197 0.91 KIF11 (0.68) KIF11RXRARXRBHDAC4HDAC2
SCHEMBL17105790 0.91 KIF11 (0.68) KIF11RXRARXRBHDAC4HDAC2
SCHEMBL25094071 0.89 KIF11 (0.60) KIF11RXRARXRBACHECTSS
SCHEMBL18210650 0.89 KIF11 (0.60) KIF11RXRARXRBHDAC4HDAC2
SCHEMBL17806549 0.89 KIF11 (0.60) KIF11RXRARXRBHDAC4HDAC2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108652127-A Basketball sport insole 东莞市顺风运动器材有限公司 2018-10-16 CN claimed
CN-106349024-A Synthesis method and application of hindered phenol antioxidant 彤程化学(中国)有限公司 2017-01-25 CN claimed
US-7294729-B2 Bis-chelating ligand and use thereof in carbonylation processes UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2007-11-13 US claimed
US-20060058557-A1 Bis-chelating ligand and use thereof in carbonylation processes UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY LLC 2006-03-16 US claimed
EP-1554293-A1 BIS-CHELATING LIGAND AND USE THEREOF IN CARBONYLATION PROCESSES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2005-07-20 EP claimed
WO-2004035595-A1 BIS-CHELATING LIGAND AND USE THEREOF IN CARBONYLATION PROCESSES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2004-04-29 WO claimed
EP-3503263-A1 NEGATIVE ELECTRODE FOR NONAQUEOUS-ELECTROLYTE SECONDARY CELL, NONAQUEOUS-ELECTROLYTE SECONDARY CELL, AND METHOD FOR MANUFACTURING NEGATIVE ELECTRODE FOR NONAQUEOUS-ELECTROLYTE SECONDARY CELL Mitsui Chemicals, Inc. (JP) 2019-06-26 EP disclosed
US-20190181428-A1 NEGATIVE ELECTRODE FOR NONAQUEOUS-ELECTROLYTE SECONDARY CELL, NONAQUEOUS-ELECTROLYTE SECONDARY CELL, AND METHOD FOR MANUFACTURING NEGATIVE ELECTRODE FOR NONAQUEOUS-ELECTROLYTE SECONDARY CELL MITSUI CHEMICALS, INC. (JP) 2019-06-13 US disclosed
CN-108652127-A Basketball sport insole 东莞市顺风运动器材有限公司 2018-10-16 CN disclosed
CN-104053663-B Process for purifying organodiphosphite compounds 巴斯夫欧洲公司 2017-07-04 CN disclosed
CN-106349024-A Synthesis method and application of hindered phenol antioxidant 彤程化学(中国)有限公司 2017-01-25 CN disclosed
US-9469621-B2 Method for producing multisubstituted biphenyl compound and solid catalyst to be used therein KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2016-10-18 US disclosed
US-20150274689-A1 METHOD FOR PRODUCING MULTISUBSTITUTED BIPHENYL COMPOUND AND SOLID CATALYST TO BE USED THEREIN UBE CORPORATION (JP) 2015-10-01 US disclosed
US-7294729-B2 Bis-chelating ligand and use thereof in carbonylation processes UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2007-11-13 US disclosed
US-20060058557-A1 Bis-chelating ligand and use thereof in carbonylation processes UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY LLC 2006-03-16 US disclosed
EP-1554293-A1 BIS-CHELATING LIGAND AND USE THEREOF IN CARBONYLATION PROCESSES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2005-07-20 EP disclosed
WO-2004035595-A1 BIS-CHELATING LIGAND AND USE THEREOF IN CARBONYLATION PROCESSES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2004-04-29 WO 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-20060058557-A1 Bis-chelating ligand and use thereof in carbonylation processes CBR1, CBR3, AR KIF11 4551/4885RXRA 564/4885RXRB 438/4885
US-20150274689-A1 METHOD FOR PRODUCING MULTISUBSTITUTED BIPHENYL COMPOUND AND SOLID CATALYST TO BE USED THEREIN DDT, CYP1A1, CYP1B1 KIF11 683/4885RXRA 1965/4885RXRB 1369/4885

“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.