SCHEMBL21879772

SCHEMBL21879772

C[S+]([O-])c1ccccc1-c1ccc(Cl)cc1Br

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.36
GPR3 P46089 1/20 0.35
NPBWR1 P48145 1/20 0.31
PDK2 Q15119 2/20 0.31
CHEK1 O14757 1/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GCGR P47871 1/20 0.30
MAPK14 Q16539 1/20 0.30
PDE7A Q13946 2/20 0.30
PDE7B Q9NP56 2/20 0.30
HSD11B1 P28845 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
SCHEMBL31223185 1.00 S100A4 (0.36) S100A4GPR3NPBWR1PDK2CHEK1
SCHEMBL24588652 0.85 S100A4 (0.47) S100A4GPR3PDK2SMN1; SMN2HSD11B1
SCHEMBL14951394 0.81 MAPK1 (0.41) GAASMN1; SMN2HSD11B1
SCHEMBL21937508 0.77 PTPRC (0.36) PDK2GAASMN1; SMN2HSD11B1
SCHEMBL31223191 0.77 PTPRC (0.36) PDK2GAASMN1; SMN2HSD11B1
SCHEMBL28602950 0.77 TSHR (0.34) SMN1; SMN2
SCHEMBL17068901 0.77 S100A4 (0.47) S100A4GPR3PDK2CHEK1SMN1; SMN2
SCHEMBL31674872 0.77 S100A4 (0.47) S100A4GPR3PDK2CHEK1SMN1; SMN2
SCHEMBL30968565 0.77 S100A4 (0.47) S100A4GPR3PDK2CHEK1SMN1; SMN2
SCHEMBL31465791 0.75 S100A4 (0.50) S100A4GPR3PDK2CHEK1SMN1; SMN2

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
US-12091403-B2 Compound for organic electric element, organic electric element using same, and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2024-09-17 US disclosed
EP-3764416-B1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO LTD (KR) 2022-01-26 EP disclosed
US-20210380568-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD (KR) 2021-12-09 US disclosed
US-20210380568-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD (KR) 2021-12-09 US disclosed
US-20210013420-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2021-01-14 US disclosed
EP-3764416-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF Duk San Neolux Co., Ltd. (KR) 2021-01-13 EP disclosed
WO-2020085797-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-04-30 WO disclosed
WO-2020085797-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-04-30 WO 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 (3 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-20210013420-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME, AND ELECTRONIC DEVICE THEREOF PIEZO1, ORAI2, OR10J3 S100A4 1436/4885GPR3 4543/4885NPBWR1 4860/4885
US-20210380568-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF PIEZO1, ORAI2, VDAC2 S100A4 1527/4885GPR3 4843/4885NPBWR1 4881/4885
US-12091403-B2 Compound for organic electric element, organic electric element using same, and electronic device thereof PIEZO1, ORAI2, VDAC2 S100A4 1527/4885GPR3 4843/4885NPBWR1 4881/4885

“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.