SCHEMBL23201029

SCHEMBL23201029

COC1=CC(=O)C(SC)=C(OC)C1=O

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HKDC1 Q2TB90 2/20 0.62
IDO1 P14902 1/20 0.47
CDC25A P30304 1/20 0.47
CDC25B P30305 1/20 0.47
ALOX5 P09917 16/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTPN1 P18031 1/20 0.43
MPEG1 Q2M385 4/20 0.41

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
SCHEMBL23200905 0.84 HKDC1 (0.50) HKDC1IDO1CDC25ACDC25BALOX5
SCHEMBL5163654 0.74 HKDC1 (0.69) HKDC1IDO1CDC25ACDC25BALOX5
SCHEMBL9655387 0.73 ALOX5 (0.67) ALOX5MPEG1
SCHEMBL4463980 0.72 HKDC1 (0.67) HKDC1IDO1CDC25ACDC25BALOX5
SCHEMBL5983372 0.71 HKDC1 (0.72) HKDC1IDO1CDC25ACDC25BALOX5
SCHEMBL9654553 0.68 HKDC1 (0.67) HKDC1IDO1CDC25ACDC25BALOX5
SCHEMBL5820458 0.67 MAPT (0.53) HKDC1IDO1CDC25ACDC25BKDM4E
SCHEMBL9578693 0.67 ALOX5 (0.67) HKDC1IDO1CDC25ACDC25BALOX5
SCHEMBL30004035 0.67 MAPT (0.53) HKDC1IDO1CDC25ACDC25BKDM4E
SCHEMBL3417111 0.66 HKDC1 (0.56) HKDC1IDO1CDC25ACDC25BALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210214303-A1 SCORPION VENOM BENZOQUINONE DERIVATIVES AND USES THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2021-07-15 US disclosed
US-20210214303-A1 SCORPION VENOM BENZOQUINONE DERIVATIVES AND USES THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2021-07-15 US disclosed
US-20210214303-A1 SCORPION VENOM BENZOQUINONE DERIVATIVES AND USES THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2021-07-15 US disclosed
EP-3801765-A1 SCORPION VENOM BENZOQUINONE DERIVATIVES AND USES THEREOF The Board of Trustees of the Leland Stanford Junior University (US) 2021-04-14 EP disclosed
EP-3801765-A1 SCORPION VENOM BENZOQUINONE DERIVATIVES AND USES THEREOF The Board of Trustees of the Leland Stanford Junior University (US) 2021-04-14 EP disclosed
CN-112512635-A Scorpion venom benzoquinone derivative and its use 斯坦福大学校董事会 2021-03-16 CN disclosed
CN-112512635-A Scorpion venom benzoquinone derivative and its use 斯坦福大学校董事会 2021-03-16 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 (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-20210214303-A1 SCORPION VENOM BENZOQUINONE DERIVATIVES AND USES THEREOF MC1R, MRM1, MB HKDC1 3463/4885IDO1 689/4885CDC25A 3256/4885

“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.