SCHEMBL20333876

SCHEMBL20333876

O=C1c2ccccc2C(=O)c2c(NCCOCCOS(=O)(=O)O)ccc(O)c21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ MTOR P42345 2/20 0.47
▸ SIRT2 Q8IXJ6 1/20 0.47
▸ MEN1 O00255 8/20 0.47
▸ KMT2A Q03164 8/20 0.47
▸ BLM P54132 5/20 0.47
▸ POLB P06746 5/20 0.47
▸ NSD2 O96028 2/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ TOP2B Q02880 1/20 0.46
▸ MAPT P10636 6/20 0.45
▸ MAOA P21397 2/20 0.45
▸ CYP19A1 P11511 1/20 0.45
▸ TDP1 Q9NUW8 5/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ MAPK1 P28482 5/20 0.43
▸ LMNA P02545 4/20 0.43
▸ RECQL P46063 4/20 0.43
▸ USP2 O75604 2/20 0.43

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
SCHEMBL20334359 0.85 TOP2B (0.57) NPC1RAB9AMTORSIRT2MEN1
SCHEMBL25955447 0.85 CYP19A1 (0.47) NPC1RAB9AMTORSIRT2MEN1
SCHEMBL17907875 0.80 CYP19A1 (0.59) NPC1RAB9AMTORSIRT2MEN1
SCHEMBL27294872 0.79 TOP2B (0.62) NPC1RAB9AMTORSIRT2MEN1
SCHEMBL4399257 0.79 CYP19A1 (0.51) NPC1RAB9AMTORSIRT2MEN1
SCHEMBL18984751 0.79 CYP19A1 (0.51) NPC1RAB9AMTORSIRT2MEN1
SCHEMBL8426997 0.78 TOP2B (0.64) NPC1RAB9AMTORSIRT2MEN1
SCHEMBL23787766 0.78 CYP19A1 (0.50) NPC1RAB9AMTORSIRT2MEN1
SCHEMBL1896432 0.77 CYP19A1 (0.52) NPC1RAB9AMTORSIRT2MEN1
SCHEMBL20334197 0.77 NSD2 (0.43) NPC1RAB9AMTORSIRT2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230240954-A1 USE OF ANTHRAQUINONE DYES AND OF FLUORESCENT DYES FOR DYEING KERATIN FIBRES, DYEING PROCESS AND COMPOSITION L'OREAL (FR) 2023-08-03 — — US disclosed
US-20230240954-A1 USE OF ANTHRAQUINONE DYES AND OF FLUORESCENT DYES FOR DYEING KERATIN FIBRES, DYEING PROCESS AND COMPOSITION L'OREAL (FR) 2023-08-03 — — US disclosed
EP-3558235-B1 USE OF ANTHRAQUINONE DYES AND OF FLUORESCENT DYES FOR DYEING KERATIN FIBRES, DYEING PROCESS AND COMPOSITION OREAL (FR) 2021-09-08 — — EP disclosed
WO-2018115337-A1 USE OF ANTHRAQUINONE DYES AND OF FLUORESCENT DYES FOR DYEING KERATIN FIBRES, DYEING PROCESS AND COMPOSITION L'OREAL (FR) 2018-06-28 — — 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 (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-20230240954-A1 USE OF ANTHRAQUINONE DYES AND OF FLUORESCENT DYES FOR DYEING KERATIN FIBRES, DYEING PROCESS AND COMPOSITION KRT18, CUTA, KLK5 NPC1 4717/4885RAB9A 3240/4885MTOR 3379/4885

“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.

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