SCHEMBL16724059

SCHEMBL16724059

COC(=O)c1cc(Cl)ccc1-c1cccc2c1Sc1ccccc1S2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.48
SLC6A3 Q01959 2/20 0.48
ALOX5 P09917 1/20 0.48
ABL1 P00519 1/20 0.43
TP53 P04637 1/20 0.42
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
PDK2 Q15119 1/20 0.39
NR4A2 P43354 2/20 0.39
LMNA P02545 3/20 0.39
BCHE P06276 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
ACHE P22303 2/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL16724091 0.91 SLC6A4 (0.50) SLC6A4SLC6A3ALOX5ABL1TP53
SCHEMBL16724086 0.83 PDK2 (0.42) SLC6A4SLC6A3ABL1TP53HCRTR1
SCHEMBL19777626 0.81 SLC6A3 (0.56) SLC6A4SLC6A3ABL1TP53PDK2
SCHEMBL16724062 0.80 SLC6A4 (0.43) SLC6A4SLC6A3ALOX5ABL1TP53
SCHEMBL31497069 0.78 SLC6A3 (0.63) SLC6A4SLC6A3ABL1NR4A2MEN1
SCHEMBL9511389 0.77 KDM4E (0.50) SLC6A4SLC6A3LMNABCHENPSR1
SCHEMBL19152863 0.76 SLC6A4 (0.52) SLC6A4SLC6A3ABL1NR4A2NPSR1
SCHEMBL21102263 0.75 SLC6A3 (0.55) SLC6A4SLC6A3ABL1TP53HCRTR1
SCHEMBL19777168 0.74 SLC6A3 (0.55) SLC6A4SLC6A3ABL1TP53NR4A2
SCHEMBL16724090 0.74 ALOX5 (0.47) SLC6A4SLC6A3ALOX5TP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9368733-B2 Compound for organic optoelectronic device, organic light-emitting device containing the same, and display device including said organic light-emitting device SAMSUNG SDI CO., LTD. (KR) 2016-06-14 US disclosed
US-9368733-B2 Compound for organic optoelectronic device, organic light-emitting device containing the same, and display device including said organic light-emitting device SAMSUNG SDI CO., LTD. (KR) 2016-06-14 US disclosed
US-20150137111-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE SAME, AND DISPLAY DEVICE INCLUDING SAID ORGANIC LIGHT-EMITTING DEVICE SAMSUNG SDI CO., LTD. (KR) 2015-05-21 US disclosed
US-20150137111-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE SAME, AND DISPLAY DEVICE INCLUDING SAID ORGANIC LIGHT-EMITTING DEVICE SAMSUNG SDI CO., LTD. (KR) 2015-05-21 US 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-20150137111-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE SAME, AND DISPLAY DEVICE INCLUDING SAID ORGANIC LIGHT-EMITTING DEVICE OR51E2, AOX1, OCIAD1 SLC6A4 4551/4885SLC6A3 4174/4885ALOX5 423/4885

“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.