SCHEMBL14958534

SCHEMBL14958534

CCCCCC(C)(NCCN)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.38
SMPD1 P17405 2/20 0.37
ALOX15 P16050 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
RRM1 P23921 1/20 0.35
EPHX1 P07099 4/20 0.33
CES2 O00748 1/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
NAALAD2 Q9Y3Q0 1/20 0.33

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
SCHEMBL5426320 0.86 EPHX1 (0.44) EPHX1CES2
SCHEMBL28340634 0.76 NAALAD2 (0.38) FDPSALOX15NAALAD2
SCHEMBL29382795 0.75 NAALAD2 (0.51) ALOX15NAALAD2
SCHEMBL7741623 0.74 CES2 (0.41) ALOX15CES2
SCHEMBL7221202 0.74 NAALAD2 (0.33) NAALAD2
SCHEMBL11673843 0.73 SMPD1 (0.40) FDPSSMPD1ALOX15CES2
SCHEMBL11673854 0.73 SMPD1 (0.40) FDPSSMPD1ALOX15CES2
SCHEMBL11675428 0.73 SMPD1 (0.40) FDPSSMPD1ALOX15CES2
SCHEMBL11674296 0.73 SMPD1 (0.40) FDPSSMPD1ALOX15CES2
Hydrochloric Acid SCHEMBL15799742 0.73 CES2 (0.40) ALOX15CES2

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-10179099-B2 Decolorization of dyed keratin fibers HENKEL AG & CO. KGAA (DE) 2019-01-15 US disclosed
US-20170326055-A1 DECOLORIZATION OF DYED KERATIN FIBERS HENKEL AG & CO. KGAA (DE) 2017-11-16 US disclosed
US-8940943-B2 Cosmetic preparations COGNIS IP MANAGEMENT GMBH (DE) 2015-01-27 US disclosed
US-20130131188-A1 Cosmetic Preparations COGNIS IP MANAGEMENT GMBH (DE) 2013-05-23 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-10179099-B2 Decolorization of dyed keratin fibers KRT18, DDR1, DDR2 FDPS 4726/4885SMPD1 3558/4885ALOX15 4700/4885
US-20130131188-A1 Cosmetic Preparations CYP1B1, CBR1, ACOX3 FDPS 2304/4885SMPD1 655/4885ALOX15 35/4885
US-20170326055-A1 DECOLORIZATION OF DYED KERATIN FIBERS KRT18, DDR1, DDR2 FDPS 4726/4885SMPD1 3558/4885ALOX15 4700/4885

“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.