SCHEMBL16724062

SCHEMBL16724062

COC(=O)c1cc(Cl)ccc1-c1cccc2c1Oc1ccccc1S2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
ATM Q13315 1/20 0.42
TRPA1 O75762 2/20 0.40
ABL1 P00519 1/20 0.39
TP53 P04637 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
PRKDC P78527 1/20 0.38
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX5 P09917 1/20 0.37
GAA P10253 1/20 0.37
PDK2 Q15119 1/20 0.36
NR4A2 P43354 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL16724082 0.88 TRPA1 (0.47) SLC6A4SLC6A3ATMTRPA1PRKDC
SCHEMBL16724059 0.80 SLC6A4 (0.48) SLC6A4SLC6A3ABL1TP53HCRTR1
SCHEMBL16724069 0.79 SLC6A3 (0.42) SLC6A4SLC6A3TRPA1ABL1HCRTR1
SCHEMBL16724065 0.79 PDK2 (0.42) SLC6A4SLC6A3TRPA1ABL1HCRTR1
SCHEMBL16724063 0.77 ATM (0.41) SLC6A4SLC6A3ATMTP53PRKDC
SCHEMBL20933679 0.77 SLC6A3 (0.51) SLC6A4SLC6A3TRPA1ABL1LTB4R
SCHEMBL20933643 0.77 SLC6A3 (0.51) SLC6A4SLC6A3TRPA1ABL1LTB4R
SCHEMBL31497069 0.73 SLC6A3 (0.63) SLC6A4SLC6A3ABL1KDM4EALDH1A1
SCHEMBL23546522 0.73 ALOX5 (0.47) SLC6A4SLC6A3ATMTRPA1LMNA
SCHEMBL19777626 0.73 SLC6A3 (0.56) SLC6A4SLC6A3ABL1TP53KDM4E

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 4174/4885ATM 4377/4885

“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.