SCHEMBL1679985

SCHEMBL1679985

O=C(CS)NCCCCCCCCNC(=O)CS

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HDAC6 Q9UBN7 13/20 0.56
HDAC1 Q13547 10/20 0.56
HDAC8 Q9BY41 9/20 0.56
HDAC10 Q969S8 8/20 0.55
HDAC2 Q92769 7/20 0.55
HDAC3 O15379 4/20 0.55
HDAC4 P56524 4/20 0.55
HDAC7 Q8WUI4 4/20 0.55
HDAC11 Q96DB2 4/20 0.55
HDAC9 Q9UKV0 4/20 0.55
HDAC5 Q9UQL6 4/20 0.55
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CASP2 P42575 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPK1 P28482 1/20 0.48
HIF1A Q16665 1/20 0.48
NAAA Q02083 1/20 0.45

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
SCHEMBL1366504 1.00 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HDAC6HDAC1HDAC8
SCHEMBL930344 0.93 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2HDAC6HDAC1HDAC8
SCHEMBL15057947 0.91 HDAC6 (0.54) ALDH1A1SMN1; SMN2HDAC6HDAC1HDAC8
SCHEMBL929131 0.90 HDAC6 (0.49) ALDH1A1SMN1; SMN2HDAC6HDAC1HDAC8
SCHEMBL25885399 0.89 HDAC6 (0.49) ALDH1A1SMN1; SMN2HDAC6HDAC1HDAC8
SCHEMBL8293928 0.89 HDAC6 (0.49) ALDH1A1SMN1; SMN2HDAC6HDAC1HDAC8
SCHEMBL2802038 0.89 PAOX (0.57) ALDH1A1SMN1; SMN2HDAC6HDAC1HDAC8
SCHEMBL7564045 0.89 CASP2 (0.67) MEN1KMT2ACASP2NAAA
SCHEMBL5144140 0.89 CASP2 (0.67) MEN1KMT2ACASP2NAAA
SCHEMBL7564056 0.89 CASP2 (0.67) MEN1KMT2ACASP2NAAA

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9701629-B2 Use of dithiocarbamate esters and bis-dithiocarbamate esters in the preparation of organic-inorganic nanocomposites SONY DEUTSCHLAND GMBH (DE) 2017-07-11 US claimed
US-RE44510-E1 Multifunctional linker molecules for tuning electronic charge transport through organic-inorganic composite structures and uses thereof SONY DEUTSCHLAND GMBH (DE) 2013-09-24 US claimed
US-7923576-B2 Multifunctional linker molecules for tuning electronic charge transport through organic-inorganic composite structures and uses thereof SONY DEUTSCHLAND GMBH (DE) 2011-04-12 US claimed
EP-1215205-B1 Tuned multifunctional linker molecules for electronic charge transport through organic-inorganic composite structures and use thereof SONY DEUTSCHLAND GMBH (DE) 2007-11-21 EP claimed
US-20060163564-A1 Use of dithiocarbamate esters and bis-dithiocarbamate esters in the preparation of organic-inorganic nanocomposites SONY DEUTSCHLAND GMBH (DE) 2006-07-27 US claimed
US-20060138408-A1 Multifunctional linker molecules for tuning electronic charge transport through organic-inorganic composite structures and uses thereof SONY DEUTSCHLAND GMBH (DE) 2006-06-29 US claimed
US-20060113530-A1 Multifunctional linker molecules for tuning electronic charge transport through organic-inorganic composite structures and uses thereof SONY DEUTSCHLAND GMBH (DE) 2006-06-01 US claimed
US-7030271-B2 Multifunctional linker molecules for tuning electronic charge transport through organic-inorganic composite structures and uses thereof SONY INTERNATIONAL (EUROPE) GMBH (DE) 2006-04-18 US claimed
US-20020127756-A1 Multifunctional linker molecules for tuning electronic charge transport through organic-inorganic composite structures and uses thereof SONY DEUTSCHLAND GMBH (DE) 2002-09-12 US claimed
EP-1215205-A1 Tuned multifunctional linker molecules for electronic charge transport through organic-inorganic composite structures and use thereof Sony International (Europe) GmbH (DE) 2002-06-19 EP claimed
US-9701629-B2 Use of dithiocarbamate esters and bis-dithiocarbamate esters in the preparation of organic-inorganic nanocomposites SONY DEUTSCHLAND GMBH (DE) 2017-07-11 US disclosed
US-9701629-B2 Use of dithiocarbamate esters and bis-dithiocarbamate esters in the preparation of organic-inorganic nanocomposites SONY DEUTSCHLAND GMBH (DE) 2017-07-11 US disclosed
US-9701629-B2 Use of dithiocarbamate esters and bis-dithiocarbamate esters in the preparation of organic-inorganic nanocomposites SONY DEUTSCHLAND GMBH (DE) 2017-07-11 US disclosed
US-RE44510-E1 Multifunctional linker molecules for tuning electronic charge transport through organic-inorganic composite structures and uses thereof SONY DEUTSCHLAND GMBH (DE) 2013-09-24 US disclosed
US-RE44510-E1 Multifunctional linker molecules for tuning electronic charge transport through organic-inorganic composite structures and uses thereof SONY DEUTSCHLAND GMBH (DE) 2013-09-24 US disclosed
EP-1841002-A1 Battery leakage detection system SONY DEUTSCHLAND GMBH (DE) 2007-10-03 EP disclosed
US-20060163564-A1 Use of dithiocarbamate esters and bis-dithiocarbamate esters in the preparation of organic-inorganic nanocomposites SONY DEUTSCHLAND GMBH (DE) 2006-07-27 US disclosed
US-20060138408-A1 Multifunctional linker molecules for tuning electronic charge transport through organic-inorganic composite structures and uses thereof SONY DEUTSCHLAND GMBH (DE) 2006-06-29 US disclosed
US-20060113530-A1 Multifunctional linker molecules for tuning electronic charge transport through organic-inorganic composite structures and uses thereof SONY DEUTSCHLAND GMBH (DE) 2006-06-01 US disclosed
EP-1215205-A1 Tuned multifunctional linker molecules for electronic charge transport through organic-inorganic composite structures and use thereof Sony International (Europe) GmbH (DE) 2002-06-19 EP 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 (4 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-20060163564-A1 Use of dithiocarbamate esters and bis-dithiocarbamate esters in the preparation of organic-inorganic nanocomposites KCNC1, VDAC1, CALCOCO2 ALDH1A1 2766/4885SMN1; SMN2 3462/4885HDAC6 1055/4885
US-20060138408-A1 Multifunctional linker molecules for tuning electronic charge transport through organic-inorganic composite structures and uses thereof CORO1C, EXOC1, CLINT1 ALDH1A1 3296/4885SMN1; SMN2 2444/4885HDAC6 1789/4885
US-20060113530-A1 Multifunctional linker molecules for tuning electronic charge transport through organic-inorganic composite structures and uses thereof CORO1C, CALCOCO2, KCNC1 ALDH1A1 3717/4885SMN1; SMN2 2503/4885HDAC6 1781/4885
US-20020127756-A1 Multifunctional linker molecules for tuning electronic charge transport through organic-inorganic composite structures and uses thereof CORO1C, CACNG2, KCNC1 ALDH1A1 3327/4885SMN1; SMN2 2244/4885HDAC6 1600/4885

“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.