SCHEMBL5095683

SCHEMBL5095683

COCCOCCC1(CCOCCOC)c2ccccc2-c2ccc(Br)cc21

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.40
APEX1 P27695 1/20 0.35
BACE1 P56817 2/20 0.33
PTPRC P08575 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
AR P10275 1/20 0.30

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
SCHEMBL20872220 1.00 PDK2 (0.40) PDK2APEX1BACE1PTPRCALDH1A1
SCHEMBL18677952 1.00 PDK2 (0.40) PDK2APEX1BACE1PTPRCALDH1A1
SCHEMBL31564893 0.93 PDK2 (0.33) PDK2BACE1ALDH1A1MAPTSMN1; SMN2
SCHEMBL29622840 0.93 PDK2 (0.33) PDK2BACE1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4830511 0.93 PDK2 (0.33) PDK2BACE1ALDH1A1MAPTSMN1; SMN2
SCHEMBL40624 0.93 PDK2 (0.33) PDK2BACE1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5842438 0.92 PDK2 (0.44) PDK2APEX1BACE1PTPRCALDH1A1
SCHEMBL17448370 0.88 PDK2 (0.30) PDK2ALDH1A1MAPT
SCHEMBL19649406 0.87 ALDH1A1 (0.37) PDK2ALDH1A1
SCHEMBL5035446 0.87 APEX1 (0.43) PDK2APEX1ALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9220794-B2 Two-photon fluorescent probes for imaging of total sulfide in live cell and tissue, and quantitative estimation of total sulfide concentration using the same KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2015-12-29 US disclosed
US-20150118162-A1 TWO-PHOTON FLUORESCENT PROBES FOR IMAGING OF TOTAL SULFIDE IN LIVE CELL AND TISSUE, AND QUANTITATIVE ESTIMATION OF TOTAL SULFIDE CONCENTRATION USING THE SAME KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2015-04-30 US disclosed
US-20150118162-A1 TWO-PHOTON FLUORESCENT PROBES FOR IMAGING OF TOTAL SULFIDE IN LIVE CELL AND TISSUE, AND QUANTITATIVE ESTIMATION OF TOTAL SULFIDE CONCENTRATION USING THE SAME KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2015-04-30 US disclosed
US-20080026135-A1 ELECTRON TRANSPORT AGENTS FOR ORGANIC ELECTRONIC DEVICES 3M INNOVATIVE PROPERTIES COMPANY 2008-01-31 US disclosed
US-7282275-B2 Materials for organic electronic devices 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-10-16 US disclosed
US-7282275-B2 Materials for organic electronic devices 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-10-16 US disclosed
US-7282275-B2 Materials for organic electronic devices 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-10-16 US disclosed
US-7271406-B2 Electron transport agents for organic electronic devices 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-09-18 US disclosed
EP-1618169-A1 ELECTRON TRANSPORT AGENTS FOR ORGANIC ELECTRONIC DEVICES 3M Innovative Properties Company (US) 2006-01-25 EP disclosed
WO-2004096948-A1 ELECTRON TRANSPORT AGENTS FOR ORGANIC ELECTRONIC DEVICES 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-11-11 WO disclosed
US-20040214036-A1 Electron transport agents for organic electronic devices 3M INNOVATIVE PROPERTIES COMPANY 2004-10-28 US disclosed
US-20030219625-A1 Materials for organic electronic devices 3M INNOVATIVE PROPERTIES COMPANY 2003-11-27 US disclosed
WO-2003090502-A2 MATERIALS FOR ORGANIC ELECTRONIC DEVICES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-10-30 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-20150118162-A1 TWO-PHOTON FLUORESCENT PROBES FOR IMAGING OF TOTAL SULFIDE IN LIVE CELL AND TISSUE, AND QUANTITATIVE ESTIMATION OF TOTAL SULFIDE CONCENTRATION USING THE SAME CBS, TST, QSOX1 PDK2 2240/4885APEX1 1135/4885BACE1 4625/4885

“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.