SCHEMBL26041283

SCHEMBL26041283

O=C1c2ccccc2C(=O)c2c(OI)cccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.54
ADORA2A P29274 2/20 0.52
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
CDC25B P30305 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 2/20 0.47
MAPT P10636 7/20 0.47
ALDH1A1 P00352 7/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
EGFR P00533 4/20 0.47
MAPK1 P28482 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
PABPC1 P11940 1/20 0.47
NSD2 O96028 1/20 0.47
LMNA P02545 1/20 0.47
KDM4E B2RXH2 2/20 0.47
USP2 O75604 1/20 0.47
DUSP3 P51452 1/20 0.47

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
SCHEMBL3766191 0.83 ADORA2A (0.61) KCNA3ADORA2AMEN1KMT2ACDC25B
SCHEMBL6415480 0.83 KCNA3 (0.57) KCNA3ADORA2AMEN1KMT2ACDC25B
SCHEMBL1893344 0.80 ADORA2A (0.57) KCNA3ADORA2AMEN1KMT2ACDC25B
SCHEMBL183075 0.80 MAPT (0.54) KCNA3ADORA2AMEN1KMT2ACDC25B
SCHEMBL612831 0.80 MAPT (0.74) KCNA3ADORA2AMEN1KMT2ACDC25B
SCHEMBL10937944 0.78 KCNA3 (0.53) KCNA3ADORA2AMEN1KMT2ACDC25B
SCHEMBL15471406 0.78 KCNA3 (0.66) KCNA3ADORA2AMEN1KMT2ACDC25B
SCHEMBL25321369 0.77 KCNA3 (0.51) KCNA3ADORA2AMEN1KMT2ACDC25B
SCHEMBL1764840 0.77 ADORA2A (0.66) KCNA3ADORA2AMEN1KMT2ACDC25B
SCHEMBL5014653 0.77 KCNA3 (0.51) KCNA3ADORA2AMEN1KMT2ACDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230270643-A1 DYEING AND/OR LIGHTENING COMPOSITION COMPRISING AN ANTHRAQUINONE CATIONIC DIRECT DYE, A FATTY SUBSTANCE, A CHEMICAL OXIDIZING AGENT AND A BASIFYING AGENT AND/OR AN OXIDATION DYE PRECURSOR L'OREAL (FR) 2023-08-31 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-20230270643-A1 DYEING AND/OR LIGHTENING COMPOSITION COMPRISING AN ANTHRAQUINONE CATIONIC DIRECT DYE, A FATTY SUBSTANCE, A CHEMICAL OXIDIZING AGENT AND A BASIFYING AGENT AND/OR AN OXIDATION DYE PRECURSOR KRT18, SQOR, FASN KCNA3 1173/4885ADORA2A 3126/4885MEN1 1750/4885

“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.