SCHEMBL16724082

SCHEMBL16724082

COC(=O)c1ccccc1-c1cccc2c1Oc1ccccc1S2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.47
ATM Q13315 2/20 0.46
ALOX5 P09917 1/20 0.44
SLC6A3 Q01959 4/20 0.43
SLC6A4 P31645 3/20 0.43
KDM4E B2RXH2 3/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 2/20 0.41
SLC6A2 P23975 1/20 0.41
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
MAPK10 P53779 1/20 0.40
KMT2A Q03164 1/20 0.40
PTK2B Q14289 1/20 0.40
NCOA1 Q15788 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL16724062 0.88 SLC6A4 (0.43) TRPA1ATMALOX5SLC6A3SLC6A4
SCHEMBL23546522 0.84 ALOX5 (0.47) TRPA1ATMALOX5SLC6A3SLC6A4
SCHEMBL20934245 0.82 ALOX5 (0.52) TRPA1ATMALOX5SLC6A3SLC6A4
SCHEMBL70315 0.78 KDM4E (0.47) TRPA1ATMALOX5SLC6A3KDM4E
SCHEMBL9495694 0.78 ALOX5 (0.51) TRPA1ATMALOX5SLC6A3KDM4E
SCHEMBL20934474 0.77 SLC6A3 (0.50) TRPA1ALOX5SLC6A3SLC6A4KDM4E
SCHEMBL16724080 0.75 TRPA1 (0.46) TRPA1ATMALOX5SLC6A3SLC6A4
SCHEMBL69464 0.74 SLC6A3 (0.67) ATMSLC6A3SLC6A4KDM4ELMNA
SCHEMBL1574135 0.74 ALOX5 (0.43) TRPA1ATMALOX5KDM4ELMNA
SCHEMBL20934267 0.74 SLC6A3 (0.49) TRPA1ALOX5SLC6A3SLC6A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021120838-A1 ORGANIC COMPOUND, ELECTRONIC DEVICE, AND ELECTRONIC APPARATUS 陕西莱特光电材料股份有限公司 2021-06-24 WO 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-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 TRPA1 15/4885ATM 4377/4885ALOX5 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.