SCHEMBL455300

SCHEMBL455300

O=C1c2ccccc2C(=O)c2c(NCCCO)ccc(NCCO)c21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2B Q02880 1/20 0.72
CYP19A1 P11511 1/20 0.62
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
BLM P54132 4/20 0.60
NSD2 O96028 3/20 0.60
POLB P06746 3/20 0.60
RXFP1 Q9HBX9 1/20 0.60
FGB P02675 1/20 0.60
MMP14 P50281 1/20 0.60
LMNA P02545 6/20 0.58
MAPT P10636 5/20 0.58
MAPK1 P28482 5/20 0.58
ALDH1A1 P00352 5/20 0.58
HTT P42858 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
L3MBTL1 Q9Y468 4/20 0.58
RECQL P46063 3/20 0.58
NPSR1 Q6W5P4 3/20 0.58
EGFR P00533 2/20 0.58

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
SCHEMBL375450 0.97 TOP2B (0.71) TOP2BCYP19A1MEN1KMT2ABLM
SCHEMBL29357976 0.93 TOP2B (0.81) TOP2BCYP19A1MEN1KMT2ABLM
SCHEMBL1426702 0.93 TOP2B (0.81) TOP2BCYP19A1MEN1KMT2ABLM
SCHEMBL15271588 0.91 TOP2B (0.73) TOP2BCYP19A1MEN1KMT2ABLM
SCHEMBL6661577 0.89 CYP19A1 (0.80) TOP2BCYP19A1MEN1KMT2ABLM
SCHEMBL9883948 0.89 TOP2B (0.62) TOP2BCYP19A1MEN1KMT2ABLM
SCHEMBL20710632 0.89 TOP2B (0.62) TOP2BCYP19A1MEN1KMT2ABLM
SCHEMBL8947726 0.89 TOP2B (0.74) TOP2BCYP19A1MEN1KMT2ABLM
SCHEMBL15271304 0.88 TOP2B (0.83) TOP2BCYP19A1MEN1KMT2ABLM
SCHEMBL15277979 0.88 TOP2B (0.83) TOP2BCYP19A1MEN1KMT2ABLM

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 82 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1039876-B1 DIRECT HAIR DYE COMPOSITIONS AND METHODS CONTAINING NOVEL ANTHRAQUINONE MIXTURES P & G CLAIROL INC (US) 2006-06-07 EP claimed
US-5961664-A THREE 1,4-HYDROXYALKYLAMINO-ANTHRAQUINONE DERIVATIVES, WHEREIN TWO OF THE ANTHRAQUINONE COMPOUNDS IN THE MIXTURE ARE SYMMETRIC AND THE OTHER ANTHRAQUINONE COMPOUND IS ASYMMETRIC, AND WHEREIN EACH OF THE ANTHRAQUINONE COMPOUNDS HAS SIMILAR BRISTOL-MYERS SQUIBB COMPANY (US) 1999-10-05 US claimed
EP-3229918-B1 COMPOSITION AND PROCEDURE FOR TREATING KERATINIC FIBERS WITH FLASH EVAPORATION HENKEL AG & CO KGAA (DE) 2024-03-13 EP disclosed
EP-2515842-B1 DYEING COMPOSITION COMPRISING A POLYCONDENSATE OF ETHYLENE OXIDE AND PROPYLENE OXIDE OREAL (FR) 2020-04-29 EP disclosed
US-10342751-B2 Double-chamber pouch for dyeing human hair HENKEL AG & CO. KGAA (DE) 2019-07-09 US disclosed
US-20190038534-A1 COMPOSITION FOR COLOURING HAIR BEAUTY & BUSINESS S.P.A. (IT) 2019-02-07 US disclosed
US-10179093-B2 Compositions and methods for coloring keratinic fibers HENKEL AG & CO. KGAA (DE) 2019-01-15 US disclosed
US-10111508-B2 Composition and method for treating keratin fibers with flash evaporation HENKEL AG & CO. KGAA (DE) 2018-10-30 US disclosed
US-10105301-B2 Composition for colouring hair BEAUTY & BUSINESS S.P.A. (IT) 2018-10-23 US disclosed
US-20180098927-A1 DOUBLE-CHAMBER POUCH FOR DYEING HUMAN HAIR HENKEL AG & CO. KGAA (DE) 2018-04-12 US disclosed
EP-2308455-B1 Foaming dye II HENKEL AG & CO KGAA (DE) 2018-01-03 EP disclosed
EP-2301520-A2 Oxidative dye Henkel AG & Co. KGaA (DE) 2011-03-30 EP disclosed
WO-2011027077-A2 COMPOSITION COMPRISING A HYDROPHOBIC DYE, A SPECIFIC MINERAL AND/OR ORGANIC ALKALINE AGENT, A SPECIFIC COMPOUND (I) AND A SPECIFIC ORGANIC COMPOUND (II), AND USE THEREOF IN DYEING L'OREAL (FR) 2011-03-10 WO disclosed
WO-2011027076-A2 DYEING METHOD CONSISTING IN APPLYING A METALLIC SALT AND A COMPOSITION CONTAINING A HYDROPHOBIC DYE AND A SPECIFIC COMPOUND L'OREAL (FR) 2011-03-10 WO disclosed
WO-2010097559-A2 COMPOSITION CONTAINING A DYE AND 3-PHENYL-1-PROPANOL AND DYEING OF KERATIN FIBRES L'OREAL (FR) 2010-09-02 WO disclosed
WO-2010097558-A2 COMPOSITION CONTAINING A NATURAL OR SYNTHETIC DYE AND AN ALIPHATIC MONOHYDROXYLATED ALCOHOL AND KERATIN FIBRE DYEING METHOD USING SAME L'OREAL (FR) 2010-09-02 WO disclosed
US-20090282624-A1 Composition comprising a hydrophobic dye and an alkylene carbonate or a lactone and dyeing of keratinous fibres L'OREAL S.A. (FR) 2009-11-19 US disclosed
US-20090282624-A1 Composition comprising a hydrophobic dye and an alkylene carbonate or a lactone and dyeing of keratinous fibres L'OREAL S.A. (FR) 2009-11-19 US disclosed
EP-2095809-A1 Composition comprising a hydrophobic colorant and an alkylene carbonate or a lactone and dyeing of keratinous fibres L'Oréal (FR) 2009-09-02 EP disclosed
US-5961664-A THREE 1,4-HYDROXYALKYLAMINO-ANTHRAQUINONE DERIVATIVES, WHEREIN TWO OF THE ANTHRAQUINONE COMPOUNDS IN THE MIXTURE ARE SYMMETRIC AND THE OTHER ANTHRAQUINONE COMPOUND IS ASYMMETRIC, AND WHEREIN EACH OF THE ANTHRAQUINONE COMPOUNDS HAS SIMILAR BRISTOL-MYERS SQUIBB COMPANY (US) 1999-10-05 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 (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-10105301-B2 Composition for colouring hair TYR, CUTA, COX5B TOP2B 773/4885CYP19A1 534/4885MEN1 2278/4885
US-20190038534-A1 COMPOSITION FOR COLOURING HAIR TYR, CUTA, COX5B TOP2B 759/4885CYP19A1 537/4885MEN1 2221/4885
US-20090282624-A1 Composition comprising a hydrophobic dye and an alkylene carbonate or a lactone and dyeing of keratinous fibres KRT18, H1-0, H1-5 TOP2B 1869/4885CYP19A1 557/4885MEN1 2019/4885

“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.