SCHEMBL4359678

SCHEMBL4359678

CC(C)(C)c1ccc(Cn2cc(CO)c3ccccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 1/20 0.56
SLC5A2 P31639 1/20 0.56
HTR6 P50406 5/20 0.55
POLB P06746 1/20 0.55
CHRNB2 P17787 3/20 0.53
CHRNA7 P36544 3/20 0.53
CHRNA4 P43681 3/20 0.53
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HDAC6 Q9UBN7 5/20 0.52
HDAC10 Q969S8 4/20 0.52
CYP19A1 P11511 1/20 0.51
HDAC1 Q13547 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC2 Q92769 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
PARP1 P09874 1/20 0.50

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
SCHEMBL4359581 0.86 HTR6 (0.69) HTR6POLBCHRNB2CHRNA7CHRNA4
SCHEMBL7157424 0.84 HTR6 (0.68) HTR6POLBCHRNB2CHRNA7CHRNA4
SCHEMBL7113697 0.83 POLB (0.74) HTR6POLBCHRNB2CHRNA7CHRNA4
SCHEMBL16027030 0.82 HTR6 (0.66) HTR6POLBCHRNB2CHRNA7CHRNA4
SCHEMBL16222842 0.81 POLB (0.58) HTR6POLBCHRNB2CHRNA7CHRNA4
SCHEMBL27749691 0.80 SLC5A1 (0.53) SLC5A1SLC5A2HTR6POLBCHRNB2
SCHEMBL27773532 0.80 LMNA (0.54) SLC5A1SLC5A2MAPK1L3MBTL1HDAC6
SCHEMBL4359539 0.80 L3MBTL1 (0.70) POLBMAPK1L3MBTL1
SCHEMBL4933914 0.79 HDAC6 (0.53) SLC5A1SLC5A2HTR6MAPK1L3MBTL1
SCHEMBL4933909 0.79 HDAC6 (0.53) SLC5A1SLC5A2HTR6MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883841-B2 Oncogenic ras-specific cytotoxic compound and methods of use thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-11-11 US disclosed
US-8883841-B2 Oncogenic ras-specific cytotoxic compound and methods of use thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-11-11 US disclosed
US-8883841-B2 Oncogenic ras-specific cytotoxic compound and methods of use thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-11-11 US disclosed
EP-1956910-B1 ONCOGENIC RAS-SPECIFIC CYTOTOXIC COMPOUND AND METHODS OF USE THEREOF UNIV TEXAS (US) 2014-09-17 EP disclosed
CN-101360422-B Oncogenic Ras-specific cytotoxic compound and methods of usethereof UNIV TEXAS 2013-10-23 CN disclosed
US-20090286847-A1 ONCOGENIC RAS-SPECIFIC CYTOTOXIC COMPOUND AND METHODS OF USE THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-11-19 US disclosed
US-20090286847-A1 ONCOGENIC RAS-SPECIFIC CYTOTOXIC COMPOUND AND METHODS OF USE THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-11-19 US disclosed
US-20090286847-A1 ONCOGENIC RAS-SPECIFIC CYTOTOXIC COMPOUND AND METHODS OF USE THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-11-19 US disclosed
EP-1956910-A2 ONCOGENIC RAS-SPECIFIC CYTOTOXIC COMPOUND AND METHODS OF USE THEREOF The Board of Regents of The University of Texas System (US) 2008-08-20 EP disclosed
WO-2007062399-A2 ONCOGENIC RAS-SPECIFIC CYTOTOXIC COMPOUND AND METHODS OF USE THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-05-31 WO disclosed
WO-2007062399-A2 ONCOGENIC RAS-SPECIFIC CYTOTOXIC COMPOUND AND METHODS OF USE THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-05-31 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 (1 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-20090286847-A1 ONCOGENIC RAS-SPECIFIC CYTOTOXIC COMPOUND AND METHODS OF USE THEREOF KRAS, NRAS, HRAS SLC5A1 3654/4885SLC5A2 4423/4885HTR6 3758/4885

“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.