SCHEMBL5948434

SCHEMBL5948434

CCCCCNCCC(=O)ONCC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
CA2 P00918 3/20 0.46
CA12 O43570 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CNR2 P34972 2/20 0.45
CNR1 P21554 1/20 0.43
EPHX1 P07099 6/20 0.42
S1PR2 O95136 5/20 0.41
S1PR4 O95977 5/20 0.41
S1PR1 P21453 5/20 0.41
S1PR3 Q99500 5/20 0.41
S1PR5 Q9H228 1/20 0.41
PAOX Q6QHF9 1/20 0.39
CASP2 P42575 1/20 0.39
CA1 P00915 2/20 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
SCHEMBL5824005 0.86 CNR2 (0.49) ALDH1A1TSHRCA2CA12CA14
SCHEMBL27682041 0.83 CNR2 (0.37) ALDH1A1TSHRCA2CA12CA14
SCHEMBL28333098 0.83 CNR2 (0.56) ALDH1A1TSHRCNR2CNR1
SCHEMBL3633804 0.81 CA12 (0.61) ALDH1A1TSHRCA2CA12CA14
SCHEMBL11218145 0.81 ALDH1A1 (0.54) ALDH1A1TSHRCA2CA12CA14
SCHEMBL25215770 0.79 CA12 (0.64) ALDH1A1TSHRCA2CA12CA14
SCHEMBL25246754 0.79 CA12 (0.64) ALDH1A1TSHRCA2CA12CA14
SCHEMBL25257740 0.79 CA12 (0.64) ALDH1A1TSHRCA2CA12CA14
SCHEMBL25211563 0.79 CA12 (0.64) ALDH1A1TSHRCA2CA12CA14
SCHEMBL2748412 0.79 CA12 (0.64) ALDH1A1TSHRCA2CA12CA14

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200345603-A1 PRODUCT FOR THE OXIDATIVE DYEING OF HAIR CONTAINING SPECIAL DEVELOPERS, COUPLERS AND ALKALIZING AGENTS HENKEL AG & CO. KGAA (DE) 2020-11-05 US disclosed
US-10702459-B2 Hair dye having improved viscosity stability HENKEL AG & CO. KGAA (DE) 2020-07-07 US disclosed
US-10653598-B2 Decoloring of dyed keratin fibers HENKEL AG & CO. KGAA (DE) 2020-05-19 US disclosed
US-20190083372-A1 HAIR DYE HAVING IMPROVED VISCOSITY STABILITY HENKEL AG & CO. KGAA (DE) 2019-03-21 US disclosed
US-20170128334-A1 DECOLORING OF DYED KERATIN FIBERS HENKEL AG & CO. KGAA (DE) 2017-05-11 US disclosed
US-8845759-B2 Reduction of ammonia smell in substances for oxidative dyeing and/or lightening keratin fibres HENKEL AG & CO. KGAA (DE) 2014-09-30 US disclosed
US-20140165299-A1 REDUCTION OF AMMONIA SMELL IN SUBSTANCES FOR OXIDATIVE DYEING AND/OR LIGHTENING KERATIN FIBRES HENKEL AG & CO. KGAA (DE) 2014-06-19 US disclosed
US-20060016024-A1 Novel coupling components PARALLEL WIRELESS, INC. 2006-01-26 US disclosed
US-6964775-B1 Decorative cosmetic preparations BIOTEC ASA (NO) 2005-11-15 US disclosed
US-6497863-B1 PREPARATION COMPRISING WATER SOLUBLE BETA-(1,3) GLUCANS, WHICH ARE SUBSTANTIALLY FREE FROM BETA-(1,6) LINKAGES, ALUMINUM CHLOROHYDRATE, ESTERASE INHIBITORS, AND/OR BACTERICIDAL, RESPECTIVELY BACTERIOSTATIC, AGENTS BIOTEC PHARMACON ASA (NO) 2002-12-24 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 (7 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-10653598-B2 Decoloring of dyed keratin fibers KRT18, CUTA, ALDH1A1 ALDH1A1 3/4885TSHR 4674/4885CA2 2938/4885
US-20190083372-A1 HAIR DYE HAVING IMPROVED VISCOSITY STABILITY KRT18, S100B, SHH ALDH1A1 1459/4885TSHR 3420/4885CA2 68/4885
US-20200345603-A1 PRODUCT FOR THE OXIDATIVE DYEING OF HAIR CONTAINING SPECIAL DEVELOPERS, COUPLERS AND ALKALIZING AGENTS QDPR, PNMT, DDT ALDH1A1 87/4885TSHR 2807/4885CA2 2098/4885
US-10702459-B2 Hair dye having improved viscosity stability KRT18, S100B, SHH ALDH1A1 1415/4885TSHR 3390/4885CA2 73/4885
US-20140165299-A1 REDUCTION OF AMMONIA SMELL IN SUBSTANCES FOR OXIDATIVE DYEING AND/OR LIGHTENING KERATIN FIBRES KRT18, OAT, AKR7A2 ALDH1A1 337/4885TSHR 3286/4885CA2 1668/4885
US-20170128334-A1 DECOLORING OF DYED KERATIN FIBERS KRT18, CUTA, ALDH1A1 ALDH1A1 3/4885TSHR 4674/4885CA2 2938/4885
US-20060016024-A1 Novel coupling components KRT18, H1-4, H1-3 ALDH1A1 1969/4885TSHR 3630/4885CA2 3270/4885

“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.