SCHEMBL513867

SCHEMBL513867

CCN1CCN(CC)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.42
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
USP2 O75604 1/20 0.41
CDK4 P11802 1/20 0.41
ALOX15 P16050 1/20 0.41
CCND1 P24385 1/20 0.41
CHRNA7 P36544 1/20 0.40
HSD17B3 P37058 1/20 0.40
KDM1A O60341 2/20 0.39
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
PTK2B Q14289 1/20 0.37
ESR2 Q92731 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL30688734 1.00 BRD4 (0.42) BRD4ALDH1A1KMT2AMEN1USP2
SCHEMBL13228156 0.89 ALDH1A1 (0.40) BRD4ALDH1A1KMT2AMEN1USP2
SCHEMBL927716 0.84 HSD17B3 (0.40) BRD4ALDH1A1KMT2AMEN1USP2
SCHEMBL24401223 0.84 PER2 (0.38) BRD4ALDH1A1KMT2AMEN1USP2
Iodide SCHEMBL1780085 0.82 HSD17B3 (0.39) BRD4ALDH1A1KMT2AMEN1USP2
Iodide SCHEMBL1780078 0.82 HSD17B3 (0.39) BRD4ALDH1A1KMT2AMEN1USP2
Iodide SCHEMBL2821259 0.82 HSD17B3 (0.39) BRD4ALDH1A1KMT2AMEN1USP2
Hydrochloric Acid SCHEMBL30935728 0.82 MEN1 (0.40) BRD4ALDH1A1KMT2AMEN1USP2
SCHEMBL155757 0.80 ALDH1A1 (0.70) ALDH1A1KMT2AMEN1USP2CDK4
SCHEMBL29877466 0.80 ALDH1A1 (0.70) ALDH1A1KMT2AMEN1USP2CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512488-B1 HAIR COLOR COMPOSITIONS COMPRISING STABLE VIOLET-BLUE TO BLUE IMIDAZOLIUM DYES WELLA OPERATIONS US LLC (US) 2023-12-06 EP disclosed
US-20200411933-A1 SOLUBLE OXYGEN EVOLVING CATALYSTS FOR RECHARGEABLE METAL-AIR BATTERIES LIOX POWER INC (US) 2020-12-31 US disclosed
EP-2561573-B1 SOLUBLE OXYGEN EVOLVING CATALYSTS FOR RECHARGEABLE METAL-AIR BATTERIES LIOX POWER INC (US) 2020-03-25 EP disclosed
CN-106946801-B A kind of preparation and application of the novel fluorescence probe of specific recognition cysteine 中南大学 2019-11-05 CN disclosed
EP-3512488-A1 HAIR COLOR COMPOSITIONS COMPRISING STABLE VIOLET-BLUE TO BLUE IMIDAZOLIUM DYES Noxell Corporation (US) 2019-07-24 EP disclosed
US-10034823-B2 Method of coloring hair with washfast blue imidazolium direct dye compounds NOXELL CORPORATION (US) 2018-07-31 US disclosed
US-10034823-B2 Method of coloring hair with washfast blue imidazolium direct dye compounds NOXELL CORPORATION (US) 2018-07-31 US disclosed
US-10034823-B2 Method of coloring hair with washfast blue imidazolium direct dye compounds NOXELL CORPORATION (US) 2018-07-31 US disclosed
US-9982138-B2 Hair color compositions comprising stable violet-blue to blue imidazolium dyes NOXELL CORPORATION (US) 2018-05-29 US disclosed
US-9982138-B2 Hair color compositions comprising stable violet-blue to blue imidazolium dyes NOXELL CORPORATION (US) 2018-05-29 US disclosed
WO-2018053034-A1 HAIR COLOR COMPOSITIONS COMPRISING STABLE VIOLET-BLUE TO BLUE IMIDAZOLIUM DYES NOXELL CORPORATION (US) 2018-03-22 WO disclosed
US-20180078478-A1 Method of Coloring Hair with Washfast Blue Imidazolium Direct Dye Compounds WELLA OPERATIONS US, LLC 2018-03-22 US disclosed
US-20180078478-A1 Method of Coloring Hair with Washfast Blue Imidazolium Direct Dye Compounds WELLA OPERATIONS US, LLC 2018-03-22 US disclosed
US-20180072970-A1 STABLE VIOLET-BLUE TO BLUE IMIDAZOLIUM COMPOUNDS THE PROCTER & GAMBLE COMPANY 2018-03-15 US disclosed
US-20180072970-A1 STABLE VIOLET-BLUE TO BLUE IMIDAZOLIUM COMPOUNDS THE PROCTER & GAMBLE COMPANY 2018-03-15 US disclosed
US-20180072970-A1 STABLE VIOLET-BLUE TO BLUE IMIDAZOLIUM COMPOUNDS THE PROCTER & GAMBLE COMPANY 2018-03-15 US disclosed
CN-106946801-A A kind of preparation and application of the novel fluorescence probe of specific recognition cysteine 中南大学 2017-07-14 CN disclosed
EP-2561573-A1 SOLUBLE OXYGEN EVOLVING CATALYSTS FOR RECHARGEABLE METAL-AIR BATTERIES Liox Power, Inc. (US) 2013-02-27 EP disclosed
US-20120028137-A1 SOLUBLE OXYGEN EVOLVING CATALYSTS FOR RECHARGEABLE METAL-AIR BATTERIES LIOX POWER, INC. 2012-02-02 US disclosed
WO-2011133982-A1 SOLUBLE OXYGEN EVOLVING CATALYSTS FOR RECHARGEABLE METAL-AIR BATTERIES LIOX POWER, INC. (US) 2011-10-27 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 (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-10034823-B2 Method of coloring hair with washfast blue imidazolium direct dye compounds WASHC4, SHH, WASHC5 BRD4 51/4885ALDH1A1 186/4885KMT2A 2996/4885
US-20180072970-A1 STABLE VIOLET-BLUE TO BLUE IMIDAZOLIUM COMPOUNDS IK, NISCH, KRT18 BRD4 237/4885ALDH1A1 1586/4885KMT2A 2236/4885
US-20180078478-A1 Method of Coloring Hair with Washfast Blue Imidazolium Direct Dye Compounds WASHC4, SHH, WASHC5 BRD4 51/4885ALDH1A1 186/4885KMT2A 2996/4885

“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.