SCHEMBL19949895

SCHEMBL19949895

CCCCN(CCC)NC(=O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.47
FAAH O00519 8/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA9 Q16790 2/20 0.39
CES1 P23141 6/20 0.38
CES2 O00748 5/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL25335609 0.78 CA12 (0.43) EPHX1CA12CA1CA9CES1
SCHEMBL7801311 0.77 EPHX1 (0.41) EPHX1FAAHCA12CA9CES1
SCHEMBL29031207 0.75 CES2 (0.40) EPHX1FAAHCA12CA1CA9
SCHEMBL29031203 0.75 CES2 (0.40) EPHX1FAAHCA12CA1CA9
SCHEMBL6575288 0.70 EPHX1 (0.49) EPHX1FAAHCES1CES2MEN1
SCHEMBL2860849 0.70 CA12 (0.48) EPHX1CA12CA1CA9CES1
SCHEMBL27376019 0.70 CA12 (0.48) CA12CA1CA9MEN1KMT2A
SCHEMBL23040950 0.69 HSP90AA1 (0.53) FAAHCES1CES2MEN1KMT2A
SCHEMBL25394342 0.69 HSP90AA1 (0.53) FAAHCES1CES2MEN1KMT2A
SCHEMBL29174015 0.69 HSP90AA1 (0.53) FAAHCES1CES2MEN1KMT2A

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 9 patents. 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
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-9982138-B2 Hair color compositions comprising stable violet-blue to blue imidazolium dyes NOXELL CORPORATION (US) 2018-05-29 US disclosed
US-20180105697-A1 HAIR COLOR COMPOSITIONS COMPRISING STABLE VIOLET-BLUE TO BLUE IMIDAZOLIUM DYES WELLA OPERATIONS US, LLC 2018-04-19 US disclosed
WO-2018053034-A1 HAIR COLOR COMPOSITIONS COMPRISING STABLE VIOLET-BLUE TO BLUE IMIDAZOLIUM DYES NOXELL CORPORATION (US) 2018-03-22 WO disclosed
WO-2018052725-A1 STABLE VIOLET-BLUE TO BLUE IMIDAZOLIUM COMPOUNDS THE PROCTER & GAMBLE COMPANY (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-20180072970-A1 STABLE VIOLET-BLUE TO BLUE IMIDAZOLIUM COMPOUNDS THE PROCTER & GAMBLE COMPANY 2018-03-15 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 (4 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 EPHX1 2603/4885FAAH 2324/4885CA12 1146/4885
US-20180105697-A1 HAIR COLOR COMPOSITIONS COMPRISING STABLE VIOLET-BLUE TO BLUE IMIDAZOLIUM DYES IK, KRT18, CYBA EPHX1 3834/4885FAAH 3945/4885CA12 1687/4885
US-20180072970-A1 STABLE VIOLET-BLUE TO BLUE IMIDAZOLIUM COMPOUNDS IK, NISCH, KRT18 EPHX1 4138/4885FAAH 2955/4885CA12 852/4885
US-20180078478-A1 Method of Coloring Hair with Washfast Blue Imidazolium Direct Dye Compounds WASHC4, SHH, WASHC5 EPHX1 2603/4885FAAH 2324/4885CA12 1146/4885

“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.