SCHEMBL20333887

SCHEMBL20333887

CC[N+](C)(CC)CCCNc1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRCA1 P38398 2/20 0.66
▸ SMN1; SMN2 Q16637 2/20 0.66
▸ HIF1A Q16665 1/20 0.66
▸ NQO1 P15559 3/20 0.63
▸ TERT O14746 3/20 0.47
▸ KMT2A Q03164 5/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ MAPT P10636 4/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ RECQL P46063 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ MAOA P21397 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ TTR P02766 1/20 0.46
▸ CYP1A1 P04798 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ HSPD1 P10809 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ALOX15 P16050 1/20 0.46

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
SCHEMBL20334295 0.93 BRCA1 (0.62) BRCA1SMN1; SMN2HIF1ANQO1TERT
SCHEMBL20334356 0.86 TERT (0.55) BRCA1SMN1; SMN2HIF1ANQO1TERT
SCHEMBL10598125 0.85 SMN1; SMN2 (0.75) BRCA1SMN1; SMN2HIF1ANQO1KMT2A
SCHEMBL10598278 0.84 BRCA1 (0.73) BRCA1SMN1; SMN2HIF1ANQO1KMT2A
SCHEMBL10604111 0.82 BRCA1 (0.70) BRCA1SMN1; SMN2HIF1ANQO1KMT2A
SCHEMBL10600892 0.82 SMN1; SMN2 (0.66) BRCA1SMN1; SMN2HIF1ANQO1KMT2A
SCHEMBL10601840 0.80 SMN1; SMN2 (0.67) BRCA1SMN1; SMN2HIF1ANQO1KMT2A
SCHEMBL20334204 0.80 NQO1 (0.80) BRCA1SMN1; SMN2HIF1ANQO1TERT
SCHEMBL29411748 0.80 BRCA1 (1.00) BRCA1SMN1; SMN2HIF1ANQO1KMT2A
SCHEMBL10597732 0.80 BRCA1 (0.70) BRCA1SMN1; SMN2HIF1ANQO1KMT2A

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 3 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
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 BRCA1 3235/4885SMN1; SMN2 4834/4885HIF1A 3535/4885

“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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