SCHEMBL5283357

SCHEMBL5283357

CCCCN(CCCC)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 15/20 0.47
NR1H3 Q13133 15/20 0.47
KCNH2 Q12809 1/20 0.42
NR1I2 O75469 1/20 0.42
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
AR P10275 1/20 0.39

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
SCHEMBL14432466 0.88 TSHR (0.41) NR1H2NR1H3KCNH2EGFRERBB2
SCHEMBL7153351 0.85 EGFR (0.50) NR1H2NR1H3EGFRERBB2AR
SCHEMBL7755356 0.82 NR1H2 (0.54) NR1H2NR1H3NR1I2AR
SCHEMBL15704270 0.82 MAPT (0.53) NR1H2NR1H3KCNH2HDAC3HDAC1
SCHEMBL1723932 0.82 NR1H2 (0.42) NR1H2NR1H3NR1I2EGFRERBB2
SCHEMBL2014159 0.81 EGFR (0.47) NR1H2NR1H3EGFRERBB2AR
SCHEMBL768272 0.81 EGFR (0.47) NR1H2NR1H3EGFRERBB2AR
SCHEMBL17663681 0.81 EGFR (0.47) NR1H2NR1H3EGFRERBB2AR
SCHEMBL3054212 0.79 EGFR (0.46) NR1H2NR1H3EGFRERBB2AR
SCHEMBL6278267 0.79 ALDH1A1 (0.54) NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10862047-B2 Organic electroluminescent device KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2020-12-08 US disclosed
US-10658596-B2 2020-05-19 US disclosed
US-20160190478-A1 ORGANIC ELECTROLUMINESCENT DEVICE KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2016-06-30 US disclosed
US-8716491-B2 Benzimidazolium dyes and their use as fluorescent chemosensors NEW YORK UNIVERSITY (US) 2014-05-06 US disclosed
US-8716491-B2 Benzimidazolium dyes and their use as fluorescent chemosensors NEW YORK UNIVERSITY (US) 2014-05-06 US disclosed
US-7947712-B2 Antiarthritic agents; asthma; chronic obstructive pulminary diosrders; atherosclerosis; vision defects; hepatitis; central nervous system disorders; cardiovascular disorders; wound healing agents; restenosis; cirrhosis; multiple sclerosis; glomerulonephritis; graft versus host disease; antidiabetic agent WYETH LLC (US) 2011-05-24 US disclosed
US-7541462-B2 Triaminophosphine ligands for carbon-nitrogen and carbon-carbon bond formation IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2009-06-02 US disclosed
US-20080269213-A1 8-Hydroxyquinoline compounds and methods thereof WYETH (US) 2008-10-30 US disclosed
US-20080160521-A1 BENZIMIDAZOLIUM DYES AND THEIR USE AS FLUORESCENT CHEMOSENSORS NEW YORK UNIVERSITY (US) 2008-07-03 US disclosed
US-20080139806-A1 TRIAMINOPHOSPHINE LIGANDS FOR CARBON-NITROGEN AND CARBON-CARBON BOND FORMATION IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC.. 2008-06-12 US disclosed
US-7385058-B1 Triaminophosphine ligands for carbon-nitrogen and carbon-carbon bond formation IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2008-06-10 US disclosed
US-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
EP-1313560-B1 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION UNIV YALE (US) 2007-12-19 EP disclosed
EP-1354887-B1 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INST TECHNOLOGY (US) 2007-04-25 EP disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US disclosed
EP-1097158-B1 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INST TECHNOLOGY (US) 2006-01-25 EP disclosed
EP-1354887-A1 Ligands for metals and improved metal-catalyzed processes based thereon Massachusetts Insitute of Technology (US) 2003-10-22 EP disclosed
US-6562989-B2 Bicyclopentyl iron ligand and transition metal catalyst YALE UNIVERSITY 2003-05-13 US disclosed
US-20030008768-A1 Catalyst for aromatic C-O, C-N, and C-C bond formation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-01-09 US 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 (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-20080139806-A1 TRIAMINOPHOSPHINE LIGANDS FOR CARBON-NITROGEN AND CARBON-CARBON BOND FORMATION ABL1, AOC1, NPPA NR1H2 3801/4885NR1H3 3737/4885KCNH2 1485/4885
US-20080269213-A1 8-Hydroxyquinoline compounds and methods thereof MMP8, MMP26, MMP9 NR1H2 156/4885NR1H3 244/4885KCNH2 2271/4885
US-20080160521-A1 BENZIMIDAZOLIUM DYES AND THEIR USE AS FLUORESCENT CHEMOSENSORS IK, C9, CBR3 NR1H2 795/4885NR1H3 917/4885KCNH2 295/4885

“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.