SCHEMBL1679986

SCHEMBL1679986

O=C(NC1CCCCC1)C(S)S

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.56
NPC1 O15118 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
RAB9A P51151 3/20 0.56
MAPT P10636 1/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP3A4 P08684 1/20 0.56
EPHX2 P34913 1/20 0.56
ATM Q13315 1/20 0.47
MMP2 P08253 3/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
MMP8 P22894 1/20 0.47
MMP1 P03956 1/20 0.47
MMP3 P08254 1/20 0.47
MAPK1 P28482 1/20 0.47
DUSP3 P51452 1/20 0.47

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
SCHEMBL879436 0.84 EPHX1 (0.54) EPHX1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL14602767 0.79 EPHX1 (0.58) EPHX1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL13209041 0.79 EPHX1 (0.58) EPHX1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL23041891 0.79 EPHX1 (0.58) EPHX1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL26980521 0.79 EPHX1 (0.58) EPHX1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL19426214 0.77 ATM (0.56) EPHX1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL10954117 0.77 KMT2A (0.62) EPHX1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL221845 0.77 ATM (0.56) EPHX1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL14521518 0.77 ATM (0.56) EPHX1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL19426006 0.77 ATM (0.56) EPHX1NPC1SMN1; SMN2RAB9AMAPT

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-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-8173842-B2 Multifunctional linker molecules for tuning electronic charge transport through organic-inorganic composite structures and uses thereof SONY DEUTSCHLAND GMBH (DE) 2012-05-08 US disclosed
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 disclosed
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 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
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 disclosed
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 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 EPHX1 3757/4885NPC1 2855/4885SMN1; SMN2 3462/4885
US-20060138408-A1 Multifunctional linker molecules for tuning electronic charge transport through organic-inorganic composite structures and uses thereof CORO1C, EXOC1, CLINT1 EPHX1 3604/4885NPC1 1952/4885SMN1; SMN2 2444/4885
US-20060113530-A1 Multifunctional linker molecules for tuning electronic charge transport through organic-inorganic composite structures and uses thereof CORO1C, CALCOCO2, KCNC1 EPHX1 3653/4885NPC1 2091/4885SMN1; SMN2 2503/4885
US-20020127756-A1 Multifunctional linker molecules for tuning electronic charge transport through organic-inorganic composite structures and uses thereof CORO1C, CACNG2, KCNC1 EPHX1 3868/4885NPC1 2247/4885SMN1; SMN2 2244/4885

“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.