SCHEMBL578484

SCHEMBL578484

CC(C)(C)[Si](C)(C)OCCCOc1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 1/20 0.53
DRD4 P21917 2/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
DUT P33316 2/20 0.40
NOS1 P29475 2/20 0.40
MAOB P27338 2/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 1/20 0.39
TSHR P16473 1/20 0.38
DHFR P00374 1/20 0.38

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
SCHEMBL2474081 0.92 ALDH1A1 (0.54) KDM4EALDH1A1DRD4DRD2DRD3
SCHEMBL20204806 0.83 MAPT (0.47) KDM4EALDH1A1DUTTDP1MAPK1
SCHEMBL24513630 0.83 KDM4E (0.53) KDM4EALDH1A1DRD4DRD2DRD3
SCHEMBL25369942 0.83 LTA4H (0.50) DRD4DRD2DRD3DUT
SCHEMBL20568979 0.83 APP (0.41) KDM4EALDH1A1DUT
SCHEMBL20569831 0.83 KDM4E (0.40) KDM4EALDH1A1DUTL3MBTL1MAPK1
SCHEMBL25401134 0.83 CHRNB2 (0.38) KDM4EALDH1A1DUT
SCHEMBL31637830 0.83 CHRNB2 (0.38) KDM4EALDH1A1DUT
SCHEMBL20569059 0.81 DUT (0.39) KDM4EALDH1A1DUTMAOBDHFR
SCHEMBL1629693 0.81 HRH3 (0.43) KDM4EALDH1A1DUTMAPK1

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
US-8846978-B2 Electronic devices comprising novel phosphonic acid surface modifiers IMPERIAL INNOVATIONS LTD. (GB) 2014-09-30 US disclosed
US-8822503-B2 2-pyridone compounds TAISHO PHARMACEUTICAL CO., LTD (JP) 2014-09-02 US disclosed
US-8586208-B2 Stable electrodes with modified work functions and methods for organic electronic devices GEORGIA TECH RESEARCH CORPORATION (US) 2013-11-19 US disclosed
US-20120114974-A1 ELECTRONIC DEVICES COMPRISING NOVEL PHOSPHONIC ACID SURFACE MODIFIERS NATIONAL SCIENCE FOUNDATION 2012-05-10 US disclosed
EP-2417142-A1 ELECTRONIC DEVICES COMPRISING NOVEL PHOSPHONIC ACID SURFACE MODIFIERS Georgia Tech Research Corporation (US) 2012-02-15 EP disclosed
US-20110237791-A1 2-PYRIDONE COMPOUNDS TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-09-29 US disclosed
US-20110114935-A1 Stable electrodes with modified work functions and methods for organic electronic devices GEORGIA TECH RESEARCH CORPORATION (US) 2011-05-19 US disclosed
EP-2304820-A1 STABLE ELECTRODES WITH MODIFIED WORK FUNCTIONS AND METHODS FOR ORGANIC ELECTRONIC DEVICES Georgia Tech Research Corporation (US) 2011-04-06 EP disclosed
WO-2010115854-A1 ELECTRONIC DEVICES COMPRISING NOVEL PHOSPHONIC ACID SURFACE MODIFIERS GEORGIA TECH RESEARCH CORPORATION (US) 2010-10-14 WO disclosed
WO-2010007081-A1 STABLE ELECTRODES WITH MODIFIED WORK FUNCTIONS AND METHODS FOR ORGANIC ELECTRONIC DEVICES GEORGIA TECH RESEARCH CORPORATION (US) 2010-01-21 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 (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-20110114935-A1 Stable electrodes with modified work functions and methods for organic electronic devices EPCAM, EMD, L1CAM KDM4E 484/4885ALDH1A1 1848/4885DRD4 2044/4885
US-20110237791-A1 2-PYRIDONE COMPOUNDS PDXK, HK1, KCNJ2 KDM4E 871/4885ALDH1A1 2239/4885DRD4 2000/4885
US-20120114974-A1 ELECTRONIC DEVICES COMPRISING NOVEL PHOSPHONIC ACID SURFACE MODIFIERS EFNA1, PHOSPHO1, EPHA6 KDM4E 1389/4885ALDH1A1 2641/4885DRD4 2362/4885

“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.