SCHEMBL5016909

SCHEMBL5016909

COc1cc(C=CC(O)O)cc(O)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 6/20 0.56
ABL1 P00519 1/20 0.51
BCR P11274 1/20 0.51
CYP3A4 P08684 3/20 0.50
MAPT P10636 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
EGFR P00533 2/20 0.50
NFKB1 P19838 2/20 0.50
CYP2B6 P20813 2/20 0.50
MEN1 O00255 2/20 0.50
LMNA P02545 2/20 0.50
HPGD P15428 2/20 0.50
BLM P54132 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP2D6 P10635 1/20 0.50
RGS12 O14924 1/20 0.50
GMNN O75496 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
SCHEMBL5016906 1.00 TUBB1 (0.56) TUBB1ABL1BCRCYP3A4MAPT
SCHEMBL22562829 0.93 ABL1 (0.59) TUBB1ABL1BCRCYP3A4MAPT
SCHEMBL21471400 0.81 CYP1A1 (0.56) TUBB1KDM4ECYP1A2HPGDALDH1A1
SCHEMBL18923479 0.81 TYR (0.67) CYP3A4MAPTKMT2AKDM4ECYP1A2
SCHEMBL2119058 0.79 TYR (0.65) TUBB1ABL1BCRCYP3A4MAPT
SCHEMBL21852875 0.79 TYR (0.65) TUBB1ABL1BCRCYP3A4MAPT
SCHEMBL30491036 0.79 TYR (0.65) TUBB1ABL1BCRCYP3A4MAPT
SCHEMBL9967714 0.79 ABL1 (0.61) TUBB1ABL1BCRCYP3A4MAPT
SCHEMBL10602315 0.79 TYR (0.65) TUBB1ABL1BCRCYP3A4MAPT
SCHEMBL3847926 0.78 TUBB1 (0.59) TUBB1ABL1BCRCYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3681504-B1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN INC (US) 2023-08-23 EP disclosed
US-11573224-B2 Methods of detection using X-ray fluorescence ICAGEN, LLC (US) 2023-02-07 US disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-10877035-B2 Advanced drug development and manufacturing ICAGEN, LLC (US) 2020-12-29 US disclosed
US-20200278346-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ADJACENT ACQUISITION CO., LLC 2020-09-03 US disclosed
US-20150309021-A1 Advanced Drug Development and Manufacturing LOS ALAMOS NATIONAL SECURITY, LLC 2015-10-29 US disclosed
EP-2511844-B1 X-ray microscope XRPRO SCIENCES INC (US) 2015-08-12 EP disclosed
EP-2511844-A2 Advanced drug development and manufacturing Los Alamos National Security, LLC (US) 2012-10-17 EP disclosed
EP-2084519-B1 X-RAY FLUORESCENCE ANALYSIS METHOD LOS ALAMOS NAT SECURITY LLC (US) 2012-08-01 EP disclosed
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 US disclosed