SCHEMBL19409342

SCHEMBL19409342

C[S+]([O-])c1ccc(Br)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.39
MAPK1 P28482 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HSP90AA1 P07900 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.33
AHR P35869 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP2A6 P11509 2/20 0.30
PYCR1 P32322 1/20 0.30

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
SCHEMBL15457026 0.80 NPC1 (0.33) ALOX15MAPK1ALDH1A1HSP90AA1TDP1
SCHEMBL31090434 0.78 CYP2A6 (0.33) ALDH1A1CYP2A6
SCHEMBL904138 0.78 DGAT1 (0.37) ALDH1A1LMNAHPGDSMN1; SMN2PYCR1
SCHEMBL28602950 0.78 TSHR (0.34) ALDH1A1TSHRLMNAHPGDHTT
SCHEMBL18921866 0.78 CYP2A6 (0.33) ALDH1A1CYP2A6
SCHEMBL4570571 0.78
SCHEMBL27348288 0.76 ALDH1A1 (0.33) MAPK1ALDH1A1
SCHEMBL31426534 0.76 DGAT1 (0.34) ALDH1A1LMNAKMT2ASMN1; SMN2PYCR1
SCHEMBL16043520 0.75 GABRA1 (0.41) ALDH1A1HTTCYP2A6
SCHEMBL16234734 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105001233-A Bis S,S-dioxo-dibenzothiophene five-membered ring monomer, preparation method thereof and polymer UNIV SOUTH CHINA TECH 2015-10-28 CN claimed
CN-107382960-B Compound for organic electric element, organic electric element using same, and electronic device using same 德山新勒克斯有限公司 2022-12-23 CN disclosed
US-10573819-B2 Compound for organic electronic element, organic electronic element comprising the same, and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2020-02-25 US disclosed
CN-107382960-A Organic electric element compound, organic electric element and its electronic installation using it 德山新勒克斯有限公司 2017-11-24 CN disclosed
US-20170288148-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT COMPRISING THE SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2017-10-05 US disclosed
US-20170288148-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT COMPRISING THE SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2017-10-05 US disclosed
US-20170288148-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT COMPRISING THE SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2017-10-05 US disclosed
CN-105001233-A Bis S,S-dioxo-dibenzothiophene five-membered ring monomer, preparation method thereof and polymer UNIV SOUTH CHINA TECH 2015-10-28 CN 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 (2 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-10573819-B2 Compound for organic electronic element, organic electronic element comprising the same, and electronic device thereof OCIAD1, GPX1, PIEZO1 ALOX15 406/4885MAPK1 258/4885ALDH1A1 453/4885
US-20170288148-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT COMPRISING THE SAME, AND ELECTRONIC DEVICE THEREOF OCIAD1, GPX1, PIEZO1 ALOX15 406/4885MAPK1 258/4885ALDH1A1 453/4885

“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.