SCHEMBL21709121

SCHEMBL21709121

c1ccc(-c2nc3ccccc3nc2-n2c3ccc4ccccc4c3c3c4ccccc4c4c5ccc6ccccc6c5sc4c32)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
RXFP1 Q9HBX9 1/20 0.32
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 2/20 0.31
HTT P42858 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.30
PDE10A Q9Y233 1/20 0.30
PKM P14618 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
SCHEMBL18877078 0.92 CASP1 (0.34) CASP1HSD17B10HRH4RXFP1KDM4E
SCHEMBL19544164 0.90 HSD17B10 (0.35) CASP1HSD17B10HRH4CYP1A1CYP1B1
SCHEMBL21707369 0.90 HSD17B10 (0.36) CASP1HSD17B10HRH4CYP1A1CYP1B1
SCHEMBL19544160 0.88 HSD17B10 (0.34) CASP1HSD17B10HRH4CYP1A1CYP1B1
SCHEMBL20042629 0.88 CASP1 (0.34) CASP1HSD17B10HRH4RXFP1KDM4E
SCHEMBL24036851 0.85 HSD17B10 (0.39) CASP1HSD17B10HRH4RXFP1KDM4E
SCHEMBL19507415 0.85 HSD17B10 (0.41) CASP1HSD17B10HRH4RXFP1KDM4E
SCHEMBL19784520 0.85 HSD17B10 (0.34) CASP1HSD17B10HRH4CYP1A1CYP1B1
SCHEMBL22479780 0.85 CASP1 (0.34) CASP1HSD17B10HRH4CYP1A1CYP1B1
SCHEMBL19544161 0.84 CYP1A1 (0.37) CASP1HSD17B10HRH4CYP1A1CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230240141-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2023-07-27 US disclosed
US-20230240141-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2023-07-27 US disclosed
US-20230172055-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2023-06-01 US disclosed
US-20230172055-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2023-06-01 US disclosed
WO-2023096210-A1 COMPOUND FOR ORGANIC ELECTRICAL ELEMENT, ORGANIC ELECTRICAL ELEMENT USING SAME AND ELECTRONIC DEVICE THEREFOR 덕산네오룩스 주식회사 2023-06-01 WO disclosed
US-11665958-B1 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2023-05-30 US disclosed
US-11665958-B1 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2023-05-30 US disclosed
WO-2021230650-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-11-18 WO disclosed
WO-2020032447-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING, AS HOST MATERIAL, MIXTURE OF DIFFERENT KINDS OF COMPOUNDS, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-02-13 WO disclosed
WO-2020032424-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING, AS HOST MATERIAL, MIXTURE OF DIFFERENT KINDS OF COMPOUNDS, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-02-13 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-20230240141-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE THEREOF ESR1, GPX1, LEF1 CASP1 67/4885HSD17B10 1898/4885HRH4 4870/4885
US-20230172055-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF OR51E2, NFE2L2, ETV6 CASP1 1031/4885HSD17B10 3619/4885HRH4 4771/4885
US-11665958-B1 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof OR51E2, NFE2L2, ETV6 CASP1 1031/4885HSD17B10 3619/4885HRH4 4771/4885

“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.